methyl(2-methylpropyl)amine hydrochloride

• ChemBase ID: 265275
• Molecular Formular: C5H14ClN
• Molecular Mass: 123.62436
• Monoisotopic Mass: 123.08147713
• SMILES: N(CC(C)C)C.Cl
• Canonical SMILES: CNCC(C)C.Cl
• InChI: InChI=1S/C5H13N.ClH/c1-5(2)4-6-3;/h5-6H,4H2,1-3H3;1H
• InChIKey: HRWUIEWFOGJKEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2-methylpropyl)amine hydrochloride
• IUPAC Traditional name: methyl(2-methylpropyl)amine hydrochloride
• Synonyms: methyl(2-methylpropyl)amine hydrochloride

Database IDs

• MDL Number: MFCD14705719
• PubChem SID: 164321185
• PubChem CID: 47002363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1857011
• LogD (pH = 7.4): -1.911838
• Log P: 1.0514247
• Molar Refractivity: 28.4376 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 0.939

Product Information

• Purity: 95%