6-(aminomethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

• ChemBase ID: 309390
• Molecular Formular: C6H12N6
• Molecular Mass: 168.19968
• Monoisotopic Mass: 168.11234441
• SMILES: c1(nc(nc(n1)CN)N)N(C)C
• Canonical SMILES: NCc1nc(N)nc(n1)N(C)C
• InChI: InChI=1S/C6H12N6/c1-12(2)6-10-4(3-7)9-5(8)11-6/h3,7H2,1-2H3,(H2,8,9,10,11)
• InChIKey: FKAMNCAQZDHPAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 6-(aminomethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
• Synonyms: 6-(aminomethyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine

Database IDs

• CAS Number: 40917-14-4
• MDL Number: MFCD18381919

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.0795534
• LogD (pH = 7.4): -0.39415666
• Log P: 0.07508474
• Molar Refractivity: 49.5267 cm^3
• Polarizability: 17.008017 Å^3
• Polar Surface Area: 93.95 Å^2