Cinnamaldehyde oxime
Basic information
- CAS
13372-81-1- Standard SMILES
O/N=C/C=C/c1ccccc1- InChIKey
RUQDOYIAKHIMAN-ZWZRPYISSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- Cinnamaldehyde oxime
- IUPAC
- (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine
- English name
- (NZ)-N-cinnamylidenehydroxylamine
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
Cinnamaldehyde oxime13372-81-1cinnamaldoximeEINECS 236-449-62-Propenal, 3-phenyl-, oximeNSC 77420RefChem:126248236-449-6RUQDOYIAKHIMAN-DAAQNPAKSA-NMFCD00019969(NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine59336-59-3
Show more names
(NZ)-N-cinnamylidenehydroxylamine2-Propenal, 3-phenyl-, oxime, (2E)-
3-Phenyl-2-propenal oximeCinnamaldoxime, (E)+(Z)20707-70-4(E)-N-[(2E)-3-phenylprop-2-en-1-ylidene]hydroxylamineCHEMBL589874SCHEMBL6124740NSC47500NSC77420
Database identifiers
- CAS
13372-81-1、20707-70-4、59336-59-3- PubChem CID
- 9561350
- ChEMBL
CHEMBL589874- EC Number
- 236-449-6、243-979-1
- Nikkaji
- J1.012.244I、J1.296.666K、J213.885I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
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, P270, P301+P316, P321, P330, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenal, 3-phenyl-, oxime, (1Z)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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