2-(2H-1,2,3,4-tetrazol-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 238318
• Molecular Formular: C3H8ClN5
• Molecular Mass: 149.58212
• Monoisotopic Mass: 149.04682296
• SMILES: n1(nncn1)CCN.Cl
• Canonical SMILES: NCCn1nncn1.Cl
• InChI: InChI=1S/C3H7N5.ClH/c4-1-2-8-6-3-5-7-8;/h3H,1-2,4H2;1H
• InChIKey: AXKUEKQWIOEDPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2H-1,2,3,4-tetrazol-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(1,2,3,4-tetrazol-2-yl)ethanamine hydrochloride
• Synonyms: 2-(2H-1,2,3,4-tetrazol-2-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD14525640
• PubChem SID: 164294228
• PubChem CID: 71756146

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.936469
• LogD (pH = 7.4): -3.0668004
• Log P: -0.9406194
• Molar Refractivity: 41.1749 cm^3
• Polarizability: 10.580229 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): -1.041

Product Information

• Purity: 95%