1-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 238128
• Molecular Formular: C9H10Cl3N
• Molecular Mass: 238.5414
• Monoisotopic Mass: 236.98788237
• SMILES: C1(c2c(Cl)cccc2Cl)(CC1)N.Cl
• Canonical SMILES: Clc1cccc(c1C1(N)CC1)Cl.Cl
• InChI: InChI=1S/C9H9Cl2N.ClH/c10-6-2-1-3-7(11)8(6)9(12)4-5-9;/h1-3H,4-5,12H2;1H
• InChIKey: NEWIGHBGVLJPHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-(2,6-dichlorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22375345
• PubChem SID: 164294038
• PubChem CID: 71756098

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.21895225
• LogD (pH = 7.4): 1.0644765
• Log P: 2.696437
• Molar Refractivity: 51.2418 cm^3
• Polarizability: 20.396017 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): 2.864

Product Information

• Purity: 95%