4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine

• ChemBase ID: 107876
• Molecular Formular: C16H21N3
• Molecular Mass: 255.35804
• Monoisotopic Mass: 255.17354769
• SMILES: CN(C)c1ccc(Nc2ccc(cc2)N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)Nc1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C16H21N3/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4/h5-12,17H,1-4H3
• InChIKey: ZPGZNKGKCSYBGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
• IUPAC Traditional name: 4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
• Synonyms: BINDSCHEDLER'S GREEN

Database IDs

• CAS Number: 637-31-0
• PubChem SID: 162088806
• PubChem CID: 69473

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.125922
• LogD (pH = 7.4): 3.57916
• Log P: 3.6292593
• Molar Refractivity: 83.4014 cm^3
• Polarizability: 30.74262 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205294

MP Biomedicals Rare Chemical collection