3,5-dichloro-N-methylaniline

• ChemBase ID: 274513
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: c1(cc(cc(c1)Cl)Cl)NC
• Canonical SMILES: CNc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C7H7Cl2N/c1-10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
• InChIKey: JTUADIPAALOMFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-N-methylaniline
• IUPAC Traditional name: 3,5-dichloro-N-methylaniline
• Synonyms: 3,5-dichloro-N-methylaniline

Database IDs

• MDL Number: MFCD11152112
• PubChem SID: 164330423
• PubChem CID: 12377757

CALCULATED PROPERTIES

• Polarizability: 17.069859 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6477482
• LogD (pH = 7.4): 2.6540325
• Log P: 2.6541133
• Molar Refractivity: 45.8614 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.475

Product Information

• Purity: 95%