Basic information
- CAS
3839-82-5- Standard SMILES
NC(=O)NN=CC=Cc1ccccc1- InChIKey
PZZOBYAGIHBRPI-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021197
Names & identifiers
- Preferred name
- Cinnamaldehyde, semicarbazone
- IUPAC
- (cinnamylideneamino)urea
- English name
- 1-(3-Phenyl-2-propenylidene)semicarbazide
- Molecular formula
- C10H11N3O
- Molecular weight
- 189.21
Names & synonyms
DTXSID7010362593839-82-5RefChem:577194DTXCID501520466Cinnamaldehyde, semicarbazonecinnamaldehyde semicarbazoneSCHEMBL30109086AKOS0306565813-Phenylpropenalsemicarbazone3-Phenyl-2-propenal semicarbazone3-Phenylacrylaldehydesemicarbazone1-(3-Phenyl-2-propenylidene)semicarbazide
Show more names
1-[(3-Phenyl-2-propene-1-ylidene)amino]ureaHydrazinecarboxamide, 2-(3-phenyl-2-propen-1-ylidene)-
Database identifiers
- CAS
3839-82-5- PubChem CID
- 235545
- DTXSID
DTXSID701036259- EC Number
- 630-935-5
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 207 °C · 207 °C
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 11.69 · 11.69±0.46(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H334
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P264, P270, P271, P284, P301+P317, P304+P340, P330, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H302-H334
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-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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