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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Ethanolamine
Ethanolamine synonyms
Ethanolamine; 2-Amino-1-ethanol; Colamine; Olamine; MEA (alcohol); beta-Hydroxyethylamine; Glycinol; Ethanol, 2-amino-; Kolamin [Czech]; Monoaethanolamin [German]; Monoethanolamine
Molecular Formula: C2 H7 N O
Natural Isotopic Abundance Mass: 61.0830800000
Mono-Isotopic Molecular Masses:
- C12N14: 61.052763852
- C13N14: 63.0594735276
- C12N15: 62.0497987452
- C13N15: 64.0565084208
InChI String: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
canonical SMILES: C(CO)N
IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas: IUPAC systematic
2-aminoethanol
PubChem Compound (CID): 700
KEGG: Compound ID C00189
CAS Registry IDs: 9007-33-4 141-43-5
PDB Chemical Component n/a
Miscellaneous Databases and IDs: ChemIDplus 000141435 EINECS 205-483-3 Caswell No. 426 CCRIS 6260 EPA Pesticide Chemical Code 011601 HSDB 531
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773