(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride

• ChemBase ID: 247903
• Molecular Formular: C3H8ClN5
• Molecular Mass: 149.58212
• Monoisotopic Mass: 149.04682296
• SMILES: n1nn(c(n1)CN)C.Cl
• Canonical SMILES: NCc1nnnn1C.Cl
• InChI: InChI=1S/C3H7N5.ClH/c1-8-3(2-4)5-6-7-8;/h2,4H2,1H3;1H
• InChIKey: OFTWOXGKQQLGRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride
• IUPAC Traditional name: (1-methyl-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride
• Synonyms: (1-methyl-1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride

Database IDs

• PubChem SID: 164303813
• PubChem CID: 13789243

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.6321952
• LogD (pH = 7.4): -1.9559287
• Log P: -1.4483534
• Molar Refractivity: 41.335 cm^3
• Polarizability: 10.588212 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.555

Product Information

• Purity: 95%