methyl[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methyl]amine hydrochloride

• ChemBase ID: 237437
• Molecular Formular: C4H10ClN5
• Molecular Mass: 163.6087
• Monoisotopic Mass: 163.06247303
• SMILES: n1nn(c(n1)CNC)C.Cl
• Canonical SMILES: CNCc1nnnn1C.Cl
• InChI: InChI=1S/C4H9N5.ClH/c1-5-3-4-6-7-8-9(4)2;/h5H,3H2,1-2H3;1H
• InChIKey: RKUPMKQOZMPDJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369952
• PubChem SID: 164293347
• PubChem CID: 71755935

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.967806
• LogD (pH = 7.4): -1.352931
• Log P: -1.015773
• Molar Refractivity: 46.1096 cm^3
• Polarizability: 12.409477 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.139

Product Information

• Purity: 95%