Basic information
- CAS
5393-49-7- Standard SMILES
CC(=Nc1ccccc1)C(C)=Nc1ccccc1- InChIKey
KLYTUKWIWXAUFO-UHFFFAOYSA-N- Molecular formula
- C16H16N2
- Average molar mass
- 236.31 g/mol
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1,4-diphenyl-1,4-diazabuta-1,3-dien
- IUPAC
- 2-N,3-N-diphenylbutane-2,3-diimine
- English name
- Benzenamine,N,N'-(1,2-dimethyl-1,2- ethanediylidene)bis-
- Molecular formula
- C16H16N2
- Molecular weight
- 236.31
Names & synonyms
5393-49-72,3-Dimethyl-1,4-diphenyl-1,4-diazabuta-1,3-dienN-[1-methyl-2-(phenylimino)propylidene]anilineN,N'-(1,2-Dimethyl-1,2-ethanediylidene)bis[benzenamine]2-N,3-N-diphenylbutane-2,3-diimineNSC4716SCHEMBL165970SCHEMBL165971SCHEMBL2348627KLYTUKWIWXAUFO-UHFFFAOYSA-N,N-diphenylbutane-2,3-diimineBenzenamine, N,N'-(1,2-dimethyl-1,2-ethanediylidene)bis-
Show more names
Benzenamine,N,N'-(1,2-dimethyl-1,2- ethanediylidene)bis-
DTXSID80277899KLYTUKWIWXAUFO-HBKJEHTGSA-NKLYTUKWIWXAUFO-UHFFFAOYSA-NNSC-4716DS-0098971,4-diphenyl-2,3-dimethyl-1,4-diazabutadieneAQ-008/41080120(2E,3E)-N~2~,N~3~-Diphenylbutane-2,3-diimine
Database identifiers
- CAS
5393-49-7- PubChem CID
- 221034
- DTXSID
DTXSID80277899- Nikkaji
- J126.111H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 364.093 · 364.093±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.981 · 0.981±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.844 · 2.844±0.50(predicted)
Chemistry & industry
Suppliers3 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
2 records
Compound notes
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