2,4-dimethylpentan-3-amine hydrochloride

• ChemBase ID: 240795
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: C(N)(C(C)C)C(C)C.Cl
• Canonical SMILES: NC(C(C)C)C(C)C.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-5(2)7(8)6(3)4;/h5-7H,8H2,1-4H3;1H
• InChIKey: XUAIHJFZXLHVGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpentan-3-amine hydrochloride
• IUPAC Traditional name: 2,4-dimethylpentan-3-amine hydrochloride
• Synonyms: 2,4-dimethylpentan-3-amine hydrochloride

Database IDs

• MDL Number: MFCD22392217
• PubChem SID: 164296705
• PubChem CID: 71756631

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.106261
• LogD (pH = 7.4): -0.8737373
• Log P: 1.9229145
• Molar Refractivity: 37.0774 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.03

Product Information

• Purity: 95%