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

• ChemBase ID: 295898
• Molecular Formular: C13H14N4
• Molecular Mass: 226.27706
• Monoisotopic Mass: 226.12184647
• SMILES: CN(C)c1ccc(cc1)/N=N/c1ccccn1
• Canonical SMILES: CN(c1ccc(cc1)/N=N/c1ccccn1)C
• InChI: InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3/b16-15+
• InChIKey: IOJNPSPGHUEJAQ-FOCLMDBBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[(E)-2-(pyridin-2-yl)diazen-1-yl]aniline
• IUPAC Traditional name: N,N-dimethyl-4-[(E)-2-(pyridin-2-yl)diazen-1-yl]aniline
• Synonyms: 4-(2-Pyridylazo)-N,N-dimethylaniline; 4-2-吡啶偶氮-N,N-二甲氧基苯胺

Database IDs

• CAS Number: 13103-75-8
• EC Number: 236-026-6
• MDL Number: MFCD00010435
• Beilstein Number: 185623
• PubChem SID: 180681429
• PubChem CID: 81528

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8591473
• LogD (pH = 7.4): 3.8639073
• Log P: 3.8639684
• Molar Refractivity: 72.9622 cm^3
• Polarizability: 25.495623 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108-110°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%