1-(3-chlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 90667
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: Clc1cccc(c1)C1(CC1)N.Cl
• Canonical SMILES: Clc1cccc(c1)C1(N)CC1.Cl
• InChI: InChI=1S/C9H10ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
• InChIKey: AWQJBHOHCVILOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(3-chlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-(1-Aminocycloprop-1-yl)-3-chlorobenzene hydrochloride; 1-(3-Chlorophenyl)cyclopropan-1-amine hydrochloride; 1-Amino-1-(3-chlorophenyl)cyclopropane hydrochloride; 1-(3-Chlorophenyl)cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD09028130
• PubChem SID: 162104787
• PubChem CID: 50944239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.89369345
• LogD (pH = 7.4): 0.05971811
• Log P: 2.0923922
• Molar Refractivity: 46.437 cm^3
• Polarizability: 18.506401 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 2.151

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C9H11Cl2N

DETAILS

Sigma Aldrich - CBR00915

Other Notes
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Legal Information
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