Basic information
- CAS
904815-00-5- Standard SMILES
CCOC(=O)C(C#N)=CNc1ccc(-c2ccccc2)cc1- InChIKey
BEAYNHUNFJQNTI-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Overview
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Names & identifiers
- Preferred name
- Ethyl 3-[([1,1'-biphenyl]-4-yl)amino]-2-cyanoprop-2-enoate
- IUPAC
- ethyl 2-cyano-3-(4-phenylanilino)prop-2-enoate
- English name
- 3-(Biphenyl-4-ylamino)-2-cyano-acrylic acid ethyl ester
- Molecular formula
- C18H16N2O2
- Molecular weight
- 292.33
Names & synonyms
904815-00-5ethyl 2-cyano-3-(4-phenylanilino)prop-2-enoateEthyl 3-[([1,1'-biphenyl]-4-yl)amino]-2-cyanoprop-2-enoateethyl 3-({[1,1'-biphenyl]-4-yl}amino)-2-cyanoprop-2-enoateDTXSID30694370AKOS0302541683-(Biphenyl-4-ylamino)-2-cyano-acrylic acid ethyl esterEthyl (2Z)-2-Cyano-3-[(4-phenylphenyl)amino]prop-2-enoateethyl (2Z)-3-({[1,1-biphenyl]-4-yl}amino)-2-cyanoprop-2-enoate
Database identifiers
- CAS
904815-00-5- PubChem CID
- 53397802
- DTXSID
DTXSID30694370
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Melting point
- 165 · 165-167 °C(Solvent: Dichloromethane)
- Boiling point
- 452.331 · 452.331±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.849 · -1.849±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H335-H319-H311-H315-H331
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS06
- Hazard statements
- H301-H335-H319-H311-H315-H331
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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