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

• ChemBase ID: 284119
• Molecular Formular: C5H10ClN5
• Molecular Mass: 175.6194
• Monoisotopic Mass: 175.06247303
• SMILES: n1(c(nnn1)CN)C1CC1.Cl
• Canonical SMILES: NCc1nnnn1C1CC1.Cl
• InChI: InChI=1S/C5H9N5.ClH/c6-3-5-7-8-9-10(5)4-1-2-4;/h4H,1-3,6H2;1H
• InChIKey: QHJABFOZIKPRPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502068
• PubChem SID: 180669650
• PubChem CID: 54595869

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1619337
• LogD (pH = 7.4): -1.4865904
• Log P: -0.98278886
• Molar Refractivity: 48.5462 cm^3
• Polarizability: 13.52547 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): -0.971

Product Information

• Purity: 95%