methyl(pentan-3-yl)amine hydrochloride

• ChemBase ID: 255105
• Molecular Formular: C6H16ClN
• Molecular Mass: 137.65094
• Monoisotopic Mass: 137.0971272
• SMILES: N(C(CC)CC)C.Cl
• Canonical SMILES: CCC(NC)CC.Cl
• InChI: InChI=1S/C6H15N.ClH/c1-4-6(5-2)7-3;/h6-7H,4-5H2,1-3H3;1H
• InChIKey: VTOBVEWRGMUFJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pentan-3-yl)amine hydrochloride
• IUPAC Traditional name: methyl(pentan-3-yl)amine hydrochloride
• Synonyms: N-(1-ethylpropyl)-N-methylamine hydrochloride

Database IDs

• CAS Number: 130985-81-8
• MDL Number: MFCD08689639
• PubChem SID: 164311015
• PubChem CID: 17750374

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6124272
• LogD (pH = 7.4): -1.375181
• Log P: 1.6255493
• Molar Refractivity: 32.9088 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 1.378

Product Information

• Purity: 95%