ethyl(3-methylbutan-2-yl)amine hydrochloride

• ChemBase ID: 264902
• Molecular Formular: C7H18ClN
• Molecular Mass: 151.67752
• Monoisotopic Mass: 151.11277726
• SMILES: N(C(C(C)C)C)CC.Cl
• Canonical SMILES: CCNC(C(C)C)C.Cl
• InChI: InChI=1S/C7H17N.ClH/c1-5-8-7(4)6(2)3;/h6-8H,5H2,1-4H3;1H
• InChIKey: AIHLSFHGRYQXBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(3-methylbutan-2-yl)amine hydrochloride
• IUPAC Traditional name: ethyl(3-methylbutan-2-yl)amine hydrochloride
• Synonyms: ethyl(3-methylbutan-2-yl)amine hydrochloride

Database IDs

• MDL Number: MFCD14705668
• PubChem SID: 164320812
• PubChem CID: 47002319

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4138448
• LogD (pH = 7.4): -1.2081375
• 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: 154 - 156°C
• Hydrophobicity(logP): 1.777

Product Information

• Purity: 95%