1-N,1-N,3,5-tetramethylbenzene-1,4-diamine

• ChemBase ID: 242562
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(cc(c(c(c1)C)N)C)N(C)C
• Canonical SMILES: CN(c1cc(C)c(c(c1)C)N)C
• InChI: InChI=1S/C10H16N2/c1-7-5-9(12(3)4)6-8(2)10(7)11/h5-6H,11H2,1-4H3
• InChIKey: XOOSQBTXESSADC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N,3,5-tetramethylbenzene-1,4-diamine
• IUPAC Traditional name: 1-N,1-N,3,5-tetramethylbenzene-1,4-diamine
• Synonyms: 1-N,1-N,3,5-tetramethylbenzene-1,4-diamine

Database IDs

• MDL Number: MFCD09035943
• PubChem SID: 164298472
• PubChem CID: 12448956

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7973756
• LogD (pH = 7.4): 2.1391833
• Log P: 2.2792065
• Molar Refractivity: 55.2694 cm^3
• Polarizability: 19.836527 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.978

Product Information

• Purity: 95%