Basic information
- CAS
196934-78-8- Standard SMILES
Cc1ccc(NC(=O)CCC(=O)O)cc1Cl- InChIKey
KIJYTGBTHXHDEZ-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- 4-((3-Chloro-4-methylphenyl)amino)-4-oxobutanoic acid
- IUPAC
- 4-(3-chloro-4-methylanilino)-4-oxobutanoic acid
- English name
- 3-[(3-chloro-4-methylphenyl)carbamoyl]propanoic acid
- Molecular formula
- C11H12ClNO3
- Molecular weight
- 241.67
Names & synonyms
196934-78-84-[(3-chloro-4-methylphenyl)amino]-4-oxobutanoic acid4-((3-Chloro-4-methylphenyl)amino)-4-oxobutanoic acidRefChem:2863604-(3-chloro-4-methylanilino)-4-oxobutanoic acidNSC2039414-(3-chloro-4-methyl-anilino)-4-oxo-butanoic acid3-[N-(3-chloro-4-methylphenyl)carbamoyl]propanoic acidMFCD001574743-[(3-chloro-4-methylphenyl)carbamoyl]propanoic acidOprea1_128772Oprea1_284920
Show more names
Butanoic acid, 4-[(3-chloro-4-methylphenyl)amino]-4-oxo-
DTXSID701212522SBB015548STK3875563'-chloro-4'-methylsuccinanilic acidAKOS000273102NSC-203941CS-0324060ST45045306
Database identifiers
- CAS
196934-78-8- PubChem CID
- 306263
- DTXSID
DTXSID701212522
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 476.5 · 476.5±40.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.0.10(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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