2-methylpentan-3-amine hydrochloride

• ChemBase ID: 263548
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: C(N)(C(C)C)CC.Cl
• Canonical SMILES: CCC(C(C)C)N.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-4-6(7)5(2)3;/h5-6H,4,7H2,1-3H3;1H
• InChIKey: XELJVUCNNBUHJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpentan-3-amine hydrochloride
• IUPAC Traditional name: 2-methylpentan-3-amine hydrochloride
• Synonyms: 2-methylpentan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD13196114
• PubChem SID: 164319458
• PubChem CID: 45792369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4706985
• LogD (pH = 7.4): -1.2145187
• Log P: 1.5579417
• Molar Refractivity: 32.6058 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: 224 - 226°C
• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%