N,N-dimethyl-4-[2-(4-methylphenyl)diazen-1-yl]aniline

• ChemBase ID: 110452
• Molecular Formular: C15H17N3
• Molecular Mass: 239.31558
• Monoisotopic Mass: 239.14224756
• SMILES: CN(C)c1ccc(cc1)/N=N/c1ccc(C)cc1
• Canonical SMILES: Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C
• InChI: InChI=1S/C15H17N3/c1-12-4-6-13(7-5-12)16-17-14-8-10-15(11-9-14)18(2)3/h4-11H,1-3H3
• InChIKey: IPIZWPBCCYXHDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[2-(4-methylphenyl)diazen-1-yl]aniline
• IUPAC Traditional name: N,N-dimethyl-4-[2-(4-methylphenyl)diazen-1-yl]aniline
• Synonyms: 4-Dimethylamino-4'-methylazobenzene; 4-DIMETHYLAMINO-4'-METHYLAZOBENZENE; 4-二甲氨基-4'-甲基偶氮苯

Database IDs

• CAS Number: 3010-57-9
• EC Number: 221-135-3
• MDL Number: MFCD00048015
• PubChem SID: 162095809
• PubChem CID: 18168

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.995364
• LogD (pH = 7.4): 5.0005383
• Log P: 5.0006046
• Molar Refractivity: 79.8468 cm^3
• Polarizability: 28.172636 Å^3
• Polar Surface Area: 27.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 165-167°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05215070

MP Biomedicals Rare Chemical collection