3-methylpentan-3-amine hydrochloride

• ChemBase ID: 274130
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: C(N)(CC)(CC)C.Cl
• Canonical SMILES: CCC(CC)(N)C.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-4-6(3,7)5-2;/h4-5,7H2,1-3H3;1H
• InChIKey: VIBXNFVAPJRVRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18785612
• PubChem SID: 164330040
• PubChem CID: 54593037

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5567099
• LogD (pH = 7.4): -1.3763328
• Log P: 1.4735456
• Molar Refractivity: 32.7724 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 281 - 283°C
• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%