1-N,1-N,3-N,6-tetramethylbenzene-1,3-diamine

• ChemBase ID: 241570
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(cc(NC)ccc1C)N(C)C
• Canonical SMILES: CNc1ccc(c(c1)N(C)C)C
• InChI: InChI=1S/C10H16N2/c1-8-5-6-9(11-2)7-10(8)12(3)4/h5-7,11H,1-4H3
• InChIKey: HMGDWBGIERFZCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N,3-N,6-tetramethylbenzene-1,3-diamine
• IUPAC Traditional name: 1-N,1-N,3-N,6-tetramethylbenzene-1,3-diamine
• Synonyms: 1-N,1-N,3-N,6-tetramethylbenzene-1,3-diamine

Database IDs

• MDL Number: MFCD20679292
• PubChem SID: 164297480
• PubChem CID: 59944330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7101921
• LogD (pH = 7.4): 2.0605528
• Log P: 2.0674891
• Molar Refractivity: 55.7216 cm^3
• Polarizability: 19.916294 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.305

Product Information

• Purity: 95%