Basic information
- CAS
17090-19-6- Standard SMILES
C=CC(=O)Nc1ccccc1C- InChIKey
RULNGIPWAOXQFQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- N-(2-methylphenyl)prop-2-enamide
- IUPAC
- N-(2-methylphenyl)prop-2-enamide
- English name
- N-(2-methylphenyl)prop-2-enamide
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
N-(2-methylphenyl)prop-2-enamide17090-19-6RefChem:825645978-670-7SCHEMBL648951CHEMBL2426251SCHEMBL17443378SAA09019AKOS003287398VS-0094NCGC00658661-01CS-0264165
Show more names
RS RMA050832-Propenamide, N-(2-methylphenyl)-
EN300-92190G28763Z440633758
Database identifiers
- CAS
17090-19-6- PubChem CID
- 3690178
- ChEMBL
CHEMBL2426251- EC Number
- 978-670-7
- Nikkaji
- J800.001H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 112 · 112-114 °C
- Boiling point
- 313.7 · 313.7±25.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 13.65 · 13.65±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
安徽合诺生物科技有限公司18455579438
南京博济达医药科技有限公司18762407961 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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