2-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

• ChemBase ID: 230564
• Molecular Formular: C7H15N7
• Molecular Mass: 197.2409
• Monoisotopic Mass: 197.13889352
• SMILES: n1c(nc(nc1NCC)NN)NCC
• Canonical SMILES: CCNc1nc(NCC)nc(n1)NN
• InChI: InChI=1S/C7H15N7/c1-3-9-5-11-6(10-4-2)13-7(12-5)14-8/h3-4,8H2,1-2H3,(H3,9,10,11,12,13,14)
• InChIKey: BVGUQIRYCWKXNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 2-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
• Synonyms: N,N'-Diethyl-6-hydrazino-[1,3,5]triazine-2,4-diamine

Database IDs

• CAS Number: 10421-98-4
• MDL Number: MFCD03478313
• PubChem SID: 164286474
• PubChem CID: 25252

CALCULATED PROPERTIES

• Acid pKa: 14.85448
• H Acceptors: 7
• H Donor: 4
• LogD (pH = 5.5): -1.0147322
• LogD (pH = 7.4): -0.8366699
• Log P: 0.94290483
• Molar Refractivity: 61.9511 cm^3
• Polarizability: 19.897566 Å^3
• Polar Surface Area: 100.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.217

Product Information

• Purity: 95%