N-ethylcyclopropanamine hydrochloride

• ChemBase ID: 256731
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1(CC1)NCC.Cl
• Canonical SMILES: CCNC1CC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-2-6-5-3-4-5;/h5-6H,2-4H2,1H3;1H
• InChIKey: MTOBNCBJZWOLCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylcyclopropanamine hydrochloride
• IUPAC Traditional name: N-ethylcyclopropanamine hydrochloride
• Synonyms: N-cyclopropyl-N-ethylamine hydrochloride

Database IDs

• CAS Number: 672302-35-1
• MDL Number: MFCD11099458
• PubChem SID: 164312641
• PubChem CID: 43810659

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5987866
• LogD (pH = 7.4): -2.062333
• Log P: 0.629494
• Molar Refractivity: 26.6532 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 0.365

Product Information

• Purity: 95%