BMRB

Biological Magnetic Resonance Data Bank


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

Acrylamide

Graphical representations:

Acrylamide image

Molecular Formula: C3 H5 N O

Natural Isotopic Abundance Mass: 71.0779

Mono-Isotopic Molecular Masses:

  • C12N14: 71.0371137878
  • C13N14: 74.0471783012
  • C12N15: 72.034148681
  • C13N15: 75.0442131944

InCHi String: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

canonical and isomeric SMILES: C=CC(=O)N

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
prop-2-enamide

PUBCHEM iupac TRADITIONAL NAME
acrylamide

PubChem Substance (SID):   85165185   22389318   4808
PubChem Compound (CID):   6579
KEGG: Compound ID   C01659
CAS Registry IDs:   79-06-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich A8887_SIGMA   ChEBI CHEBI:28619   EPA DSSTox 13151   HSDB 191   ChemIDplus 000079061   UM-BBD c0149   ChemSpider 11527203   EINECS 201-173-7   CCRIS 7   NMRShiftDB 20096880   Beilstein Handbook Reference 4-02-00-01471   ChemDB 5152156   NIST Chemistry WebBook 427424208

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.