BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-Morpholinopropylamine

Graphical representations:

3-Morpholinopropylamine image

View large 3D structure

Molecular Formula: C7 H16 N2 O

Natural Isotopic Abundance Mass: 144.21474

Mono-Isotopic Molecular Masses:

  • C12N14: 144.1262631461
  • C13N14: 151.1497470107
  • C12N15: 146.1203329325
  • C13N15: 153.1438167971

InChI String: InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2

canonical and isomeric SMILES: C1COCCN1CCCN

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
3-morpholin-4-ylpropan-1-amine

PUBCHEM iupac TRADITIONAL NAME
3-morpholinopropylamine

PUBCHEM iupac OPENEYE NAME
3-morpholinopropan-1-amine

PUBCHEM iupac CAS NAME
3-(4-morpholinyl)-1-propanamine

PubChem Substance (SID):   144080972   5297870   30400550
PubChem Compound (CID):   61055
KEGG: Compound ID   n/a
CAS Registry IDs:   123-00-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 123-00-2   Sigma-Aldrich A9028_SIGMA   ChEMBL CHEMBL158697   ChemSpider 13441917   NMRShiftDB 89239   ChemDB 4260401   NIST Chemistry WebBook 2392840155   NIST 2392840155

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