1-(4-chlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 55500
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: C1C(C1)(c1ccc(cc1)Cl)N.Cl
• Canonical SMILES: NC1(CC1)c1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C9H10ClN.ClH/c10-8-3-1-7(2-4-8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
• InChIKey: UQTQBRJXTQDWHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-chlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: [1-(4-Chlorophenyl)cyclopropyl]amine hydrochloride

Database IDs

• CAS Number: 72934-36-2
• MDL Number: MFCD07995727
• PubChem SID: 162060263
• PubChem CID: 24206584

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.89967394
• LogD (pH = 7.4): 0.0046550515
• Log P: 2.0923922
• Molar Refractivity: 46.437 cm^3
• Polarizability: 18.5057 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false