Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 18:25:43 UTC |
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Updated at | 2021-08-12 19:51:42 UTC |
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NP-MRD ID | NP0002634 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4-(2-Aminoethyl)morpholine |
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Provided By | BMRB![BMRB logo](/attributions/logo_bmrb.svg) |
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Description | 2-Morpholinoethylamine belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively. It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on 2-Morpholinoethylamine (PMID: 31155827) (PMID: 27131068) (PMID: 32481811). |
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Structure | InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2 |
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Synonyms | Value | Source |
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2-Morpholinoethanamine | ChEMBL |
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Chemical Formula | C6H14N2O |
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Average Mass | 130.1882 Da |
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Monoisotopic Mass | 130.11061 Da |
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IUPAC Name | 2-(morpholin-4-yl)ethan-1-amine |
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Traditional Name | N-aminoethylmorpholine |
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CAS Registry Number | Not Available |
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SMILES | NCCN1CCOCC1 |
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InChI Identifier | InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2 |
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InChI Key | RWIVICVCHVMHMU-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Oxazinanes |
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Sub Class | Morpholines |
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Direct Parent | Morpholines |
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Alternative Parents | |
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Substituents | - Morpholine
- Tertiary amine
- Tertiary aliphatic amine
- Dialkyl ether
- Ether
- Oxacycle
- Azacycle
- Amine
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Organic nitrogen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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External Links |
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HMDB ID | Not Available |
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DrugBank ID | DB03096 |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 361265 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | Not Available |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Good Scents ID | Not Available |
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References |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Tehrani MB, Rezaei Z, Asadi M, Behnammanesh H, Nadri H, Afsharirad F, Moradi A, Larijani B, Mohammadi-Khanaposhtani M, Mahdavi M: Design, Synthesis, and Cholinesterase Inhibition Assay of Coumarin-3-carboxamide-N-morpholine Hybrids as New Anti-Alzheimer Agents. Chem Biodivers. 2019 Jul;16(7):e1900144. doi: 10.1002/cbdv.201900144. Epub 2019 Jun 26. [PubMed:31155827 ]
- Pires Gouvea D, Vasconcellos FA, Dos Anjos Berwaldt G, Neto AC, Fischer G, Sakata RP, Almeida WP, Cunico W: 2-Aryl-3-(2-morpholinoethyl)thiazolidin-4-ones: Synthesis, anti-inflammatory in vivo, cytotoxicity in vitro and molecular docking studies. Eur J Med Chem. 2016 Aug 8;118:259-65. doi: 10.1016/j.ejmech.2016.04.028. Epub 2016 Apr 20. [PubMed:27131068 ]
- Zhu H, Fan J, Zhang S, Cao J, Song K, Ge D, Dong H, Wang J, Peng X: Ratiometric fluorescence imaging of lysosomal Zn(2+) release under oxidative stress in neural stem cells. Biomater Sci. 2014 Jan 29;2(1):89-97. doi: 10.1039/c3bm60186b. Epub 2013 Sep 11. [PubMed:32481811 ]
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