Basic information
- CAS
116373-33-2- Standard SMILES
COc1ccc(OC)c(/C=C(/C#N)C(N)=O)c1- InChIKey
WQEIGMGVBKSQGL-UITAMQMPSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- Alpha-cyano-2,5-dimethoxycinnamamide
- IUPAC
- (Z)-2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamide
- English name
- (2E)-2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamide
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
116373-33-2RefChem:555456alpha-cyano-2,5-dimethoxycinnamamide653-715-02-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamideNSC172234AKOS002297388NSC-172234NCGC00663508-01EN300-18153904Z442985712-Propenamide, 2-cyano-3-(2,5-dimethoxyphenyl)-
Show more names
(2E)-2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamide
Database identifiers
- CAS
116373-33-2- PubChem CID
- 736727
- EC Number
- 653-715-0
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 205 °C · 205 °C
- Boiling point
- 483.9 · 483.9±45.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- 13.04 · 13.04±0.50(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H301
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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