[(2,3-dichlorophenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 240792
• Molecular Formular: C8H10Cl3N
• Molecular Mass: 226.5307
• Monoisotopic Mass: 224.98788237
• SMILES: c1(c(CNC)cccc1Cl)Cl.Cl
• Canonical SMILES: CNCc1cccc(c1Cl)Cl.Cl
• InChI: InChI=1S/C8H9Cl2N.ClH/c1-11-5-6-3-2-4-7(9)8(6)10;/h2-4,11H,5H2,1H3;1H
• InChIKey: RXTDNTZBTSXQQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dichlorophenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2,3-dichlorophenyl)methyl](methyl)amine hydrochloride
• Synonyms: [(2,3-dichlorophenyl)methyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD07110176
• PubChem SID: 164296702
• PubChem CID: 17293876

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18768238
• LogD (pH = 7.4): 1.4095663
• Log P: 2.739684
• Molar Refractivity: 48.9156 cm^3
• Polarizability: 19.303654 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.816

Product Information

• Purity: 95%