6-chloro-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine

• ChemBase ID: 84465
• Molecular Formular: C7H12ClN5
• Molecular Mass: 201.65668
• Monoisotopic Mass: 201.07812309
• SMILES: n1c(nc(nc1N(C)C)Cl)N(C)C
• Canonical SMILES: Clc1nc(nc(n1)N(C)C)N(C)C
• InChI: InChI=1S/C7H12ClN5/c1-12(2)6-9-5(8)10-7(11-6)13(3)4/h1-4H3
• InChIKey: QEHWAQITIOWIEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 2-CL tetramethylmelamine
• Synonyms: 2,6-Bis(dimethylamino)-4-chloro-1,3,5-triazine; 6-Chloro-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine

Database IDs

• CAS Number: 3140-74-7
• MDL Number: MFCD00207386
• PubChem SID: 162071581
• PubChem CID: 541518

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3365686
• LogD (pH = 7.4): 2.3379247
• Log P: 2.3379421
• Molar Refractivity: 56.7694 cm^3
• Polarizability: 19.367746 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant