2-azidoethan-1-amine hydrochloride

• ChemBase ID: 235799
• Molecular Formular: C2H7ClN4
• Molecular Mass: 122.55678
• Monoisotopic Mass: 122.03592392
• SMILES: [N+](=[N-])=NCCN.Cl
• Canonical SMILES: [N-]=[N+]=NCCN.Cl
• InChI: InChI=1S/C2H6N4.ClH/c3-1-2-5-6-4;/h1-3H2;1H
• InChIKey: LUPDLBROICENPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azidoethan-1-amine hydrochloride
• IUPAC Traditional name: 2-azidoethanamine hydrochloride
• Synonyms: 2-azidoethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22196453
• PubChem SID: 164291709
• PubChem CID: 13538283

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6059756
• LogD (pH = 7.4): -2.7446756
• Log P: -0.49521646
• Molar Refractivity: 22.5036 cm^3
• Polarizability: 8.24089 Å^3
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 0.538

Product Information

• Purity: 95%