Basic information
- CAS
765273-22-1- Standard SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OCC)c1- InChIKey
BMGUCEXGWMKLQV-QNKGDIEWSA-N- Molecular formula
- C30H40ClN3O5
- Average molar mass
- 558.1 g/mol
- Monoisotopic mass
- 557.2656491
Names & identifiers
- Preferred name
- 4-(2-((Dodecanoylamino)acetyl)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate
- IUPAC
- [4-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
- English name
- SALOR-INT L391891-1EA
- Molecular formula
- C30H40ClN3O5
- Molecular weight
- 558.11
Names & synonyms
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATERefChem:511357765273-22-1649-873-5AKOS024415202SALOR-INT L391891-1EA
Database identifiers
- CAS
765273-22-1- PubChem CID
- 9664876
- EC Number
- 649-873-5
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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