2-N,2-N-dimethyl-1,3,4-oxadiazole-2,5-diamine

• ChemBase ID: 309032
• Molecular Formular: C4H8N4O
• Molecular Mass: 128.13252
• Monoisotopic Mass: 128.0698109
• SMILES: c1(oc(nn1)N)N(C)C
• Canonical SMILES: CN(c1nnc(o1)N)C
• InChI: InChI=1S/C4H8N4O/c1-8(2)4-7-6-3(5)9-4/h1-2H3,(H2,5,6)
• InChIKey: GHXVJELKKWYDQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethyl-1,3,4-oxadiazole-2,5-diamine
• IUPAC Traditional name: 2-N,2-N-dimethyl-1,3,4-oxadiazole-2,5-diamine
• Synonyms: N,N-dimethyl-1,3,4-oxadiazole-2,5-diamine

Database IDs

• CAS Number: 1210505-82-0
• MDL Number: MFCD13188616

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39769694
• LogD (pH = 7.4): -0.39769664
• Log P: -0.39769655
• Molar Refractivity: 35.0592 cm^3
• Polarizability: 11.517174 Å^3
• Polar Surface Area: 68.18 Å^2