BMRB

Biological Magnetic Resonance Data Bank


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

Cyclohexylamine

Graphical representations:

Cyclohexylamine image

Molecular Formula: C6 H13 N

Natural Isotopic Abundance Mass: 99.17412

Mono-Isotopic Molecular Masses:

  • C12N14: 99.1047994225
  • C13N14: 105.1249284493
  • C12N15: 100.1018343157
  • C13N15: 106.1219633425

InCHi String: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2

canonical and isomeric SMILES: C1CCC(CC1)N

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
cyclohexanamine

PUBCHEM iupac TRADITIONAL NAME
cyclohexylamine

PubChem Substance (SID):   85165240   5129140   24854426
PubChem Compound (CID):   7965
KEGG: Compound ID   C00571
CAS Registry IDs:   108-91-8   143247-75-0   157973-60-9
PDB Chemical Component   HAI
Miscellaneous Databases and IDs:   Sigma-Aldrich 240648_ALDRICH   ChEBI CHEBI:15773   ChemBank NCI60_004907   HSDB 918   ChemIDplus 000108918   UM-BBD c0690   ChemSpider 11555834   MMDB 57156.2   EINECS 203-629-0   CCRIS 3645   NMRShiftDB 10005734   Beilstein Handbook Reference 4-12-00-00008   ChemDB 4522583   NIST Chemistry WebBook 845062161

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.