Basic information
- CAS
6754-94-5- Standard SMILES
Cc1ccccc1C(=O)NCC(N)=O- InChIKey
FYGDRFCJOTYIQM-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Names & identifiers
- Preferred name
- o-Toluamide, N-(carbamoylmethyl)-
- IUPAC
- N-(2-amino-2-oxoethyl)-2-methylbenzamide
- English name
- Benzamide, N-(2-amino-2-oxoethyl)-2-methyl-
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
o-Toluamide, N-(carbamoylmethyl)-N-(Carbamoylmethyl)-o-toluamideBRN 23694796754-94-5Benzamide, N-(2-amino-2-oxoethyl)-2-methyl-DTXSID20217870RefChem:366551DTXCID70140361N-(2-amino-2-oxoethyl)-2-methylbenzamideSCHEMBL13162372AKOS006243082
Database identifiers
- CAS
6754-94-5- PubChem CID
- 201757
- DTXSID
DTXSID20217870- EC Number
- 121-718-1
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 206 · 206-207 °C(Solv: ethanol (64-17-5))
- Boiling point
- 442.9 · 442.9±38.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 13.99 · 13.99±0.46(Predicted)
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 2400mg/kg
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, P270, P301+P317, P330, 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
- Toxicity
- LD50 intraperitoneal in mouse: 2400mg/kg
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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