2-aminopentanenitrile hydrochloride

• ChemBase ID: 257460
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: N#CC(N)CCC.Cl
• Canonical SMILES: CCCC(C#N)N.Cl
• InChI: InChI=1S/C5H10N2.ClH/c1-2-3-5(7)4-6;/h5H,2-3,7H2,1H3;1H
• InChIKey: NOZCPMSGTGJHJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopentanenitrile hydrochloride
• IUPAC Traditional name: 2-aminopentanenitrile hydrochloride
• Synonyms: 2-aminopentanenitrile hydrochloride

Database IDs

• MDL Number: MFCD11505443
• PubChem SID: 164313370
• PubChem CID: 12745215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.770357
• LogD (pH = 7.4): 0.36803475
• Log P: 0.4463286
• Molar Refractivity: 28.6016 cm^3
• Polarizability: 11.307113 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): -0.015

Product Information

• Purity: 95%