4,4'-Diacetamidobenzoin
Basic information
- CAS
5702-73-8- Standard SMILES
CC(=O)Nc1ccc(C(=O)C(O)c2ccc(NC(C)=O)cc2)cc1- InChIKey
CJOZJOYUNVCREY-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.12665706
Names & identifiers
- Preferred name
- 4,4'-Diacetamidobenzoin
- IUPAC
- N-[4-[2-(4-acetamidophenyl)-1-hydroxy-2-oxoethyl]phenyl]acetamide
Names & synonyms
4,4'-DiacetamidobenzoinNSC1062134,4'-diacetylamino-benzoineSCHEMBL11370687CJOZJOYUNVCREY-UHFFFAOYSA-NNSC-1062135702-73-8N-(4-{2-[4-(acetylamino)phenyl]-2-hydroxyacetyl}phenyl)acetamideN-(4-(2-[4-(Acetylamino)phenyl]-2-hydroxyacetyl)phenyl)acetamide #N-[4-[2-(4-acetamidophenyl)-1-hydroxy-2-oxo-ethyl]phenyl]acetamide
Database identifiers
- CAS
5702-73-8- PubChem CID
- 267100
- EC Number
- 112-085-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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 CategoriesEye Irrit. 2 (100%)
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Related reactions
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Compound notes
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