Basic information
- CAS
15087-70-4- Standard SMILES
N#CCCN(CCOC(=O)c1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
RMUVDBYECREIDO-UHFFFAOYSA-N- Molecular formula
- C25H20N6O4
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.15460314
Names & identifiers
- Preferred name
- 2-[[4-[(2-Cyano-3-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl benzoate
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl benzoate
- English name
- 2-[[4-[(2-cyano-3-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl benzoate
- Molecular formula
- C25H20N6O4
- Molecular weight
- 468.4641
Names & synonyms
15087-70-4RMUVDBYECREIDO-UHFFFAOYSA-NEINECS 239-142-52-[[4-[(2-CYANO-3-NITROPHENYL)AZO]PHENYL](2-CYANOETHYL)AMINO]ETHYL BENZOATE2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl benzoateDTXSID8010402172-((4-((2-Cyano-3-nitrophenyl)azo)phenyl)(2-cyanoethyl)amino)ethylbenzoateBenzonitrile, 2-[2-[4-[[2-(benzoyloxy)ethyl](2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-2-[[4-[[2-(Benzoyloxy)ethyl](2-cyanoethyl)amino]phenyl]azo]-5-nitrobenzonitrile
Database identifiers
- CAS
15087-70-4- PubChem CID
- 84785
- DTXSID
DTXSID801040217- EC Number
- 239-142-5
- Nikkaji
- J241.388D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 826
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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