1-(2-chlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 90663
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: NC1(c2ccccc2Cl)CC1.Cl
• Canonical SMILES: Clc1ccccc1C1(N)CC1.Cl
• InChI: InChI=1S/C9H10ClN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
• InChIKey: ZWSHFWNTCCKFHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-chlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-Amino-1-(2-chlorophenyl)cyclopropane hydrochloride; 1-(1-Aminocycloprop-1-yl)-2-chlorobenzene hydrochloride; 1-(2-Chlorophenyl)cyclopropan-1-amine hydrochloride; 1-(2-Chlorophenyl)cyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD07995726
• PubChem SID: 162104786
• PubChem CID: 24206582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8740201
• LogD (pH = 7.4): 0.206328
• Log P: 2.0923922
• Molar Refractivity: 46.437 cm^3
• Polarizability: 18.511108 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Empirical Formula (Hill Notation): C9H11Cl2N

DETAILS

Sigma Aldrich - CBR00918

Other Notes
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Legal Information
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