4-methylhexan-2-amine hydrochloride

• ChemBase ID: 85852
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: NC(CC(CC)C)C.Cl
• Canonical SMILES: CCC(CC(N)C)C.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-4-6(2)5-7(3)8;/h6-7H,4-5,8H2,1-3H3;1H
• InChIKey: ZKKBPHUAHARETG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylhexan-2-amine hydrochloride
• IUPAC Traditional name: methylhexanamine hydrochloride; 2-hexanamine, 4-methyl- hydrochloride
• Synonyms: 4-methylhexan-2-amine hydrochloride; 2-Amino-4-methylhexane hydrochloride; 1,3-Dimethylamylamine hydrochloride; 1,3-Dimethylpentylamine hydrochloride 95%

Database IDs

• CAS Number: 13803-74-2
• MDL Number: MFCD09038354
• PubChem SID: 162072968
• PubChem CID: 44118858

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1809587
• LogD (pH = 7.4): -0.8808033
• Log P: 1.8466029
• Molar Refractivity: 37.3608 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.16

Safety Information

• Storage Warning: Highly Flammable/Corrosive

Product Information

• Purity: 95%