N-(4-Chlorophenyl)glutaramic acid
Basic information
- CAS
40828-92-0- Standard SMILES
O=C(O)CCCC(=O)Nc1ccc(Cl)cc1- InChIKey
WWDMQLBWGBGYGS-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)glutaramic acid
- IUPAC
- 5-(4-chloroanilino)-5-oxopentanoic acid
- English name
- CHEMBRDG-BB 5276890
- Molecular formula
- C11H12ClNO3
- Molecular weight
- 241.67
Names & synonyms
N-(4-CHLOROPHENYL)GLUTARAMIC ACIDRefChem:827494668-529-540828-92-05-[(4-chlorophenyl)amino]-5-oxopentanoic acid5-((4-Chlorophenyl)amino)-5-oxopentanoic acid5-(4-chloroanilino)-5-oxopentanoic acid4-[(4-chlorophenyl)carbamoyl]butanoic acidMFCD00029854pentanoic acid, 5-[(4-chlorophenyl)amino]-5-oxo-CHEMBRDG-BB 5276890CBKinase1_000061
Show more names
4-(4-Chloro-phenylcarbamoyl)-butyric acid5-[(4-chlorophenyl)amino]-5-keto-valeric acid5-[(4-chlorophenyl)amino]-5-oxopentanoic acid(SALTDATA: FREE)
CBKinase1_012461Cambridge id 5276890TimTec1_006546Oprea1_355871Oprea1_843056MLS000714067CHEMBL1491087SCHEMBL27909122
Database identifiers
- CAS
40828-92-0- PubChem CID
- 765844
- DTXSID
DTXSID70354183- ChEMBL
CHEMBL1491087- EC Number
- 668-529-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 501.4 · 501.4±35.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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