pentan-2-amine hydrochloride

• ChemBase ID: 259559
• Molecular Formular: C5H14ClN
• Molecular Mass: 123.62436
• Monoisotopic Mass: 123.08147713
• SMILES: Cl.NC(CCC)C
• Canonical SMILES: CCCC(N)C.Cl
• InChI: InChI=1S/C5H13N.ClH/c1-3-4-5(2)6;/h5H,3-4,6H2,1-2H3;1H
• InChIKey: AMIBHXGATODRDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentan-2-amine hydrochloride
• IUPAC Traditional name: 2-pentanamine hydrochloride
• Synonyms: pentan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD11858090
• PubChem SID: 164315469
• PubChem CID: 12596144

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9126494
• LogD (pH = 7.4): -1.6164956
• Log P: 1.1150151
• Molar Refractivity: 28.2112 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.232

Product Information

• Purity: 95%