N-(2,3-Dimethylphenyl)propanamide
Basic information
- CAS
50824-86-7- Standard SMILES
CCC(=O)Nc1cccc(C)c1C- InChIKey
YBGUAZYPHZLGJX-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- N-(2,3-Dimethylphenyl)propanamide
- IUPAC
- N-(2,3-dimethylphenyl)propanamide
- English name
- 2',3'-Dimethylpropionanilide
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
N-(2,3-dimethylphenyl)propanamideDTXSID403041502',3'-DIMETHYLPROPIONANILIDERefChem:823886DTXCID70255282662-699-450824-86-7N-(2,3-Dimethylphenyl)propionamideN-(2,3-Dimethyl-phenyl)-propionamideNSC164381SCHEMBL9687479SCHEMBL10436820
Show more names
Propanamide, N-(2,3-dimethylphenyl)-
AKOS000678645NSC 164381NSC-164381CS-0362033ST50334396AN-652/41460318F753296
Database identifiers
- CAS
50824-86-7- PubChem CID
- 295221
- DTXSID
DTXSID40304150- EC Number
- 662-699-4
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 79 · 79-81 °C
- Boiling point
- 313.6 · 313.6±11.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 15.13 · 15.13±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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