N-butylcyclopropanamine hydrochloride

• ChemBase ID: 255751
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(CC1)NCCCC.Cl
• Canonical SMILES: CCCCNC1CC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-2-3-6-8-7-4-5-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: FWTWRVPKRBPMGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butylcyclopropanamine hydrochloride
• IUPAC Traditional name: N-butylcyclopropanamine hydrochloride
• Synonyms: N-butyl-N-cyclopropylamine hydrochloride

Database IDs

• MDL Number: MFCD10666934
• PubChem SID: 164311661
• PubChem CID: 45286056

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6334915
• LogD (pH = 7.4): -1.1386237
• Log P: 1.596585
• Molar Refractivity: 35.7782 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.423

Product Information

• Purity: 95%