dimethyl(1H-1,2,3,4-tetrazol-5-ylmethyl)amine

• ChemBase ID: 309012
• Molecular Formular: C4H9N5
• Molecular Mass: 127.14776
• Monoisotopic Mass: 127.08579531
• SMILES: n1nc([nH]n1)CN(C)C
• Canonical SMILES: CN(Cc1nnn[nH]1)C
• InChI: InChI=1S/C4H9N5/c1-9(2)3-4-5-7-8-6-4/h3H2,1-2H3,(H,5,6,7,8)
• InChIKey: ZUBNCFGBAKTASH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(1H-1,2,3,4-tetrazol-5-ylmethyl)amine
• IUPAC Traditional name: dimethyl(1H-1,2,3,4-tetrazol-5-ylmethyl)amine
• Synonyms: N,N-dimethyl-1-(1H-tetrazol-5-yl)methanamine

Database IDs

• CAS Number: 116833-33-1
• MDL Number: MFCD13188599

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7494228
• LogD (pH = 7.4): -2.5544834
• Log P: -2.754825
• Molar Refractivity: 36.1883 cm^3
• Polarizability: 12.485217 Å^3
• Polar Surface Area: 57.7 Å^2