BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

1-amino-2-propanol

Graphical representations:

1-amino-2-propanol image

Molecular Formula: C3 H9 N O

Natural Isotopic Abundance Mass: 75.10966

Mono-Isotopic Molecular Masses:

  • C12N14: 75.0684139162
  • C13N14: 78.0784784296
  • C12N15: 76.0654488094
  • C13N15: 79.0755133228

InCHi String: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3

canonical and isomeric SMILES: CC(CN)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
1-aminopropan-2-ol

PubChem Substance (SID):   85165107   7853226   10323861
PubChem Compound (CID):   4
KEGG: Compound ID   n/a
CAS Registry IDs:   1674-56-2   78-96-6
PDB Chemical Component   FOP
Miscellaneous Databases and IDs:   CCRIS 2284   DTP/NCI 3188   BIND 1849   ZINC ZINC04658588   HSDB 5224   NMRShiftDB 10024069   ChemIDplus 000078966   NIST 1415461602   EPA DSSTox 1764   EINECS 201-162-7   Beilstein Handbook Reference 4-04-00-01665

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.