(1-cyclopropylethyl)(methyl)amine hydrochloride

• ChemBase ID: 253818
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1)C(NC)C.Cl
• Canonical SMILES: CNC(C1CC1)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5(7-2)6-3-4-6;/h5-7H,3-4H2,1-2H3;1H
• InChIKey: BHBRKGMPBPEJNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropylethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (1-cyclopropylethyl)(methyl)amine hydrochloride
• Synonyms: N-(1-cyclopropylethyl)-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD09396671
• PubChem SID: 164309728
• PubChem CID: 24649766

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2326193
• LogD (pH = 7.4): -1.9492669
• Log P: 1.0042738
• Molar Refractivity: 31.0542 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 0.764

Product Information

• Purity: 95%
• Salt Data: HCl