3-Dodecanoylamino-benzoic acid
Basic information
- CAS
79564-74-2- Standard SMILES
CCCCCCCCCCCC(=O)Nc1cccc(C(=O)O)c1- InChIKey
VIUQAJGCGOXPGF-UHFFFAOYSA-N- Molecular formula
- C19H29NO3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.21474379
Names & identifiers
- Preferred name
- 3-Dodecanoylamino-benzoic acid
- IUPAC
- 3-(dodecanoylamino)benzoic acid
- English name
- 3-(dodecanoylamino)benzoic acid
- Molecular formula
- C19H29NO3
- Molecular weight
- 319.44
Names & synonyms
3-Dodecanoylamino-benzoic acidRefChem:501095666-832-73-(Dodecanoylamino)benzoic acid79564-74-23-dodecanamidobenzoic acidMFCD00183873benzoic acid, 3-[(1-oxododecyl)amino]-3-Lauramidobenzoic acid3-dodecanamidobenzoicacidSCHEMBL7824612DTXSID00342952
Show more names
ST5216310BAS 000866673-(lauroylamino)benzoic acid3-(1-oxododecylamino)benzoic acid
VIUQAJGCGOXPGF-UHFFFAOYSA-N3-(Dodecanoylamino)benzoic acid #ALBB-010647STK368990AKOS000727730LS-03633CS-0314541ST50216310
Database identifiers
- CAS
79564-74-2- PubChem CID
- 586148
- DTXSID
DTXSID00342952- EC Number
- 666-832-7
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Hazard statements
- 413 · H413
- HazardClass
- IRRITANT
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- hazard_class
- IRRITANT
- Hazard statements
- H413
Suppliers
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Related reactions
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Compound notes
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