(2-cyclopropylethyl)(methyl)amine hydrochloride

• ChemBase ID: 241599
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1CC1CCNC.Cl
• Canonical SMILES: CNCCC1CC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-7-5-4-6-2-3-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: DHHGKEBZGZSSLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22421906
• PubChem SID: 164297509
• PubChem CID: 71756820

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2806454
• LogD (pH = 7.4): -1.9257343
• Log P: 0.95431376
• Molar Refractivity: 31.3134 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 0.984

Product Information

• Purity: 95%