2-chloro-4,6-dimethoxyaniline

• ChemBase ID: 86144
• Molecular Formular: C8H10ClNO2
• Molecular Mass: 187.6235
• Monoisotopic Mass: 187.04000625
• SMILES: Nc1c(cc(cc1OC)OC)Cl
• Canonical SMILES: COc1cc(OC)c(c(c1)Cl)N
• InChI: InChI=1S/C8H10ClNO2/c1-11-5-3-6(9)8(10)7(4-5)12-2/h3-4H,10H2,1-2H3
• InChIKey: IHGSJUGRPUIDRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethoxyaniline
• IUPAC Traditional name: 2-chloro-4,6-dimethoxyaniline
• Synonyms: 2-Chloro-4,6-dimethoxy-benzenamine; (2-Chloro-4,6-dimethoxyphenyl)amine; 1-Amino-2-chloro-4,6-dimethoxybenzene; 2-Chloro-4,6-dimethoxyaniline

Database IDs

• CAS Number: 82485-84-5
• MDL Number: MFCD01567107
• PubChem SID: 162073260
• PubChem CID: 599119

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4269884
• LogD (pH = 7.4): 1.4329455
• Log P: 1.433022
• Molar Refractivity: 48.4896 cm^3
• Polarizability: 18.418547 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Methanol
• Apperance: Dark Solid
• Melting Point: 44-45°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Light Sensitive