Basic information
- CAS
13040-21-6- Standard SMILES
C=CC(=O)Nc1cccc(O)c1- InChIKey
PMHOLXNNEPPFNZ-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- n-(3-Hydroxyphenyl)acrylamide
- IUPAC
- N-(3-hydroxyphenyl)prop-2-enamide
- English name
- N-(3-hydroxyphenyl)acrylamide
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
n-(3-hydroxyphenyl)acrylamide13040-21-6n-(3-hydroxyphenyl)prop-2-enamideMFCD00599810N-(3-Hydroxyphenyl)-2-propenamideNSC1222333'-hydroxyacrylanilideN-tosyl-3-aminophenolSCHEMBL1119155CHEMBL5395723SCHEMBL17397388SCHEMBL29380510
Show more names
172593
DTXSID20926718PMHOLXNNEPPFNZ-UHFFFAOYSA-N2-Propenamide, N-(3-hydroxyphenyl)-AKOS009223346NSC-122233DS-19437N-(3-Hydroxyphenyl)prop-2-enimidic acidSY333786
Database identifiers
- CAS
13040-21-6- PubChem CID
- 275403
- DTXSID
DTXSID20926718- ChEMBL
CHEMBL5395723- Nikkaji
- J782.713J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 382.9 · 382.9±34.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.51 · 9.51±0.10(Predicted)
- Appearance
- off-white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers51 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
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Related reactions
3 records
Compound notes
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