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Spectral Data   Additional Data   Download  
Molecule
10016917
Chemical name(s)methanamine
Chemical formulaCH5N
Molecular weight31.0571
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
  • NC (SMILES)
  • methanamine (IUPAC from ACD/Name)
  • methanamine (Index from ACD/Name)
  • InChI=1S/CH5N/c1-2/h2H2,1H3 (INChI)
  • BAVYZALUXZFZLV-UHFFFAOYSA-N (InChI Key)
  • InChI=1/CH5N/c1-2/h2H2,1H3 (InChI with fixed H layer)
CAS-Number 593-51-1
Additional information NCI Database; ChEBI;
Links from Unichem: eMolecules;ACToR;ACToR;SureChEMBL;Nikkaji;EPA (Environmental Protection Agency) CompTox Dashboard;MolPort;Mcule;Human Metabolome Database (HMDB);ChemicalBook;PDBe (Protein Data Bank Europe);ChEBI (Che... (truncated)
Molecule keywords
DOI
13C Spectrum
10039055 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature S. Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments1374.MOL; Multiplicities generated automatically from H count
Additional information
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