[(2,4-dichlorophenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 66351
• Molecular Formular: C8H10Cl3N
• Molecular Mass: 226.5307
• Monoisotopic Mass: 224.98788237
• SMILES: N(C)Cc1c(cc(cc1)Cl)Cl.Cl
• Canonical SMILES: CNCc1ccc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C8H9Cl2N.ClH/c1-11-5-6-2-3-7(9)4-8(6)10;/h2-4,11H,5H2,1H3;1H
• InChIKey: YDLOOYIAVJPBIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dichlorophenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2,4-dichlorophenyl)methyl](methyl)amine hydrochloride
• Synonyms: (2,4-Dichlorobenzyl)methylamine hydrochloride; 2,4-Dichloro-N-methylbenzylamine hydrochloride 95%; (2,4-Dichlorobenzyl)methylamine hydrochloride

Database IDs

• CAS Number: 90389-07-4
• MDL Number: MFCD04117880
• PubChem SID: 162032089
• PubChem CID: 17290678

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1988053
• LogD (pH = 7.4): 1.3889557
• Log P: 2.739684
• Molar Refractivity: 48.9156 cm^3
• Polarizability: 19.275396 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%