Basic information
- CAS
5441-05-4- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(NC(C)=O)c1- InChIKey
RBUKAETXQLGLGD-UHFFFAOYSA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.07937252
Names & identifiers
- Preferred name
- Dimethyl 2-acetamidoterephthalate
- IUPAC
- dimethyl 2-acetamidobenzene-1,4-dicarboxylate
- English name
- dimethyl 2-(acetylamino)terephthalate
- Molecular formula
- C12H13NO5
- Molecular weight
- 251.24
Names & synonyms
dimethyl 2-acetamidoterephthalatedimethyl 2-acetamidobenzene-1,4-dicarboxylatedimethyl 2-(acetylamino)terephthalate5441-05-4Oprea1_025183Oprea1_621918SCHEMBL13088436SCHEMBL30487008DTXSID60281156HMS1673E22NSC20568MFCD00439459
Show more names
1,4-Benzenedicarboxylic acid, 2-(acetylamino)-, 1,4-dimethyl ester
NSC-20568STK130184AKOS000559124BS-9825DS-010811ST50001056AE-641/03261054dimethyl 2-(acetylamino)benzene-1,4-dicarboxylate
Database identifiers
- CAS
5441-05-4- PubChem CID
- 228014
- DTXSID
DTXSID60281156- EC Number
- 140-790-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
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%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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