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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N,N-dimethylformamide

Graphical representations:

N,N-dimethylformamide image

View large 3D structure

Molecular Formula: C3 H7 N O

Natural Isotopic Abundance Mass: 73.09378

Mono-Isotopic Molecular Masses:

  • C12N14: 73.052763852
  • C13N14: 76.0628283654
  • C12N15: 74.0497987452
  • C13N15: 77.0598632586

InChI String: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3

canonical and isomeric SMILES: CN(C)C=O

PUBCHEM iupac CAS NAME: PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac TRADITIONAL NAME
N,N-dimethylformamide

PUBCHEM iupac SYSTEMATIC NAME
N,N-dimethylmethanamide

PubChem Substance (SID):   10532602   111677844   12055888
PubChem Compound (CID):   6228
KEGG: Compound ID   C03134
CAS Registry IDs:   68-12-2
PDB Chemical Component   DMF
Miscellaneous Databases and IDs:   ChEBI CHEBI:17741   Comparative Toxicogenomics Database D004126   EPA DSSTox 57739   MMCD cq_01890   MMDB 3366.5   NCGC NCGC00090785-03   NIST Chemistry WebBook 2379477955   ZINC ZINC00901648

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