1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid

HCID 238546

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Basic information

CAS: 6304-56-9
Standard SMILES: O=C(O)C1CC(=O)N(C2CCCCC2)C1
InChIKey: JXNDLFWQCQNSRP-UHFFFAOYSA-N
Molecular formula: C11H17NO3
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.1208434

Names & identifiers

Preferred name: 1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
IUPAC: 1-cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
English name: 1-Cyclohexyl-5-oxo-pyrrolidine-3-carboxylic acid
Molecular formula: C11H17NO3
Molecular weight: 211.26

Names & synonyms

1-cyclohexyl-5-oxopyrrolidine-3-carboxylic acidDTXSID60285836RefChem:431717DTXCID40236987673-848-86304-56-91-Cyclohexyl-5-oxo-pyrrolidine-3-carboxylic acidMFCD00661183NSC42973Oprea1_868729SCHEMBL891915JXNDLFWQCQNSRP-UHFFFAOYSA-N

Show more names

TIMTEC-BB SBB0112641-CYCLOHEXYL-5-OXO-3-PYRROLIDINECARBOXYLIC ACID3-Pyrrolidinecarboxylic acid, 1-cyclohexyl-5-oxo-1-cyclohexyl-5-keto-pyrrolidine-3-carboxylic acid1-cyclohexyl-5-oxopyrrolidine-3-carboxylic acid(SALTDATA: FREE)

ALBB-005879BBL008657NSC-42973SBB011264STK003999AKOS000143138AKOS016040995BS-4200

Database identifiers

CAS: 6304-56-9
PubChem CID: 238546
DTXSID: DTXSID60285836
EC Number: 673-848-8

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 271

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 301 · P301+P312
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.