(2-methylpropyl)(propan-2-yl)amine hydrochloride

• ChemBase ID: 255709
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: N(CC(C)C)C(C)C.Cl
• Canonical SMILES: CC(NCC(C)C)C.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-6(2)5-8-7(3)4;/h6-8H,5H2,1-4H3;1H
• InChIKey: MQBUMZZSHWKKJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(propan-2-yl)amine hydrochloride
• IUPAC Traditional name: isopropyl(2-methylpropyl)amine hydrochloride
• Synonyms: N-isobutyl-N-isopropylamine hydrochloride

Database IDs

• MDL Number: MFCD09971663
• PubChem SID: 164311619
• PubChem CID: 18769914

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.413837
• LogD (pH = 7.4): -1.2077452
• Log P: 1.8248076
• Molar Refractivity: 37.605 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 208 - 210°C
• Hydrophobicity(logP): 1.777

Product Information

• Purity: 95%