2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline hydrochloride

• ChemBase ID: 107075
• Molecular Formular: C14H16ClN3
• Molecular Mass: 261.74994
• Monoisotopic Mass: 261.10327521
• SMILES: Cl.Cc1ccccc1/N=N/c1ccc(N)c(C)c1
• Canonical SMILES: Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl
• InChI: InChI=1S/C14H15N3.ClH/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12;/h3-9H,15H2,1-2H3;1H
• InChIKey: PUDCZUQFOPHIGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline hydrochloride
• IUPAC Traditional name: 2-methyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline hydrochloride
• Synonyms: o-AMINOAZOTOLUENE DIAZOTATE

Database IDs

• CAS Number: 2298-13-7
• EC Number: 218-945-4
• PubChem SID: 162093156
• PubChem CID: 16808

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.5757084
• LogD (pH = 7.4): 4.5770392
• Log P: 4.5770564
• Molar Refractivity: 75.1598 cm^3
• Polarizability: 26.250471 Å^3
• Polar Surface Area: 50.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: BY6452000

DETAILS

MP Biomedicals - 05202458

MP Biomedicals Rare Chemical collection