methyl(propyl)amine hydrochloride

• ChemBase ID: 265481
• Molecular Formular: C4H12ClN
• Molecular Mass: 109.59778
• Monoisotopic Mass: 109.06582707
• SMILES: N(CCC)C.Cl
• Canonical SMILES: CCCNC.Cl
• InChI: InChI=1S/C4H11N.ClH/c1-3-4-5-2;/h5H,3-4H2,1-2H3;1H
• InChIKey: FDLVCUOMIAFXNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(propyl)amine hydrochloride
• IUPAC Traditional name: N-methylpropylamine hydrochloride
• Synonyms: methyl(propyl)amine hydrochloride

Database IDs

• MDL Number: MFCD14705766
• PubChem SID: 164321391
• PubChem CID: 20315650

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5494378
• LogD (pH = 7.4): -2.2274475
• Log P: 0.68645185
• Molar Refractivity: 23.966 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 0.54

Product Information

• Purity: 95%