hexan-3-amine hydrochloride

• ChemBase ID: 265250
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: Cl.NC(CC)CCC
• Canonical SMILES: CCCC(CC)N.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-3-5-6(7)4-2;/h6H,3-5,7H2,1-2H3;1H
• InChIKey: HBPOQLARFLBTMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexan-3-amine hydrochloride
• IUPAC Traditional name: hexan-3-amine hydrochloride
• Synonyms: hexan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD14705715
• PubChem SID: 164321160
• PubChem CID: 12596145

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3905135
• LogD (pH = 7.4): -1.1097457
• Log P: 1.6375376
• Molar Refractivity: 32.7352 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234 - 236°C
• Hydrophobicity(logP): 1.761

Product Information

• Purity: 95%