4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine

• ChemBase ID: 238831
• Molecular Formular: C6H9ClN4
• Molecular Mass: 172.61546
• Monoisotopic Mass: 172.05157399
• SMILES: c1(nc(nc(n1)C)Cl)N(C)C
• Canonical SMILES: Cc1nc(Cl)nc(n1)N(C)C
• InChI: InChI=1S/C6H9ClN4/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3
• InChIKey: AWAOCZPYQILHIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine
• Synonyms: 4-chloro-N,N,6-trimethyl-1,3,5-triazin-2-amine

Database IDs

• MDL Number: MFCD21276223
• PubChem SID: 164294741
• PubChem CID: 18729118

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.996349
• LogD (pH = 7.4): 1.9965017
• Log P: 1.9965036
• Molar Refractivity: 47.0192 cm^3
• Polarizability: 16.309334 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 0.942

Product Information

• Purity: 95%