1-[(4-chlorophenyl)methyl]cyclopropan-1-amine hydrochloride

• ChemBase ID: 143915
• Molecular Formular: C10H13Cl2N
• Molecular Mass: 218.12292
• Monoisotopic Mass: 217.04250478
• SMILES: c1cc(ccc1CC1(CC1)N)Cl.Cl
• Canonical SMILES: NC1(CC1)Cc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C10H12ClN.ClH/c11-9-3-1-8(2-4-9)7-10(12)5-6-10;/h1-4H,5-7,12H2;1H
• InChIKey: WIGGMLJLERJMTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-chlorophenyl)methyl]cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-[(4-chlorophenyl)methyl]cyclopropan-1-amine hydrochloride
• Synonyms: 1-(4-Chlorobenzyl)cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD07995731
• PubChem SID: 162238132
• PubChem CID: 24206589

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.63243735
• LogD (pH = 7.4): 0.016297204
• Log P: 2.3810534
• Molar Refractivity: 51.192 cm^3
• Polarizability: 20.272228 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H13Cl2N

DETAILS

Sigma Aldrich - CBR00921

Other Notes
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Legal Information
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