CAS 22540-50-7 6-Oxopiperidine-3-carboxylic acid (HCID 560090)

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Basic information

CAS: 22540-50-7
Standard SMILES: O=C1CCC(C(=O)O)CN1
InChIKey: LWZUSLUUMWDITR-UHFFFAOYSA-N
Molecular formula: C6H9NO3
Average molar mass: 143.14 g/mol
Monoisotopic mass: 143.05824315

Names & identifiers

Preferred name: 6-Oxopiperidine-3-carboxylic acid
IUPAC: 6-oxopiperidine-3-carboxylic acid
English name: 6-oxopiperidine-3-carboxylic acid
Molecular formula: C6H9NO3
Molecular weight: 143.14

Names & synonyms

6-oxopiperidine-3-carboxylic acid22540-50-7DTXSID60339929RefChem:309294DTXCID80291010803-398-13-Piperidinecarboxylic acid, 6-oxo-MFCD080599855-CARBOXY-2-PIPERIDONEPiperidin-2-one-5-carboxylic acid6-oxo-piperidine-3-carboxylic acidBHC40856

Show more names

6-Oxonipecotic acid6-ketonipecotic acidUKRORGSYN-BB BBV-0822636-Oxopiperidine-3-carboxy...2-Piperidone-5-carboxylic acid6-Oxo-3-piperidinecarboxylic acid

STL429911SB17687SB17688F2147-1744AMY19081Nipecotic Acid, 6-oxo- (8CI); 6-Oxo-3-piperidinecarboxylic Acid; 2-Oxopiperidine-5-carboxylic Acid; 2-Piperidone-5-carboxylic Acid; 5-Carboxy-2-piperidone6-Oxo-3-piperiFT-0715637

Database identifiers

CAS: 22540-50-7
PubChem CID: 560090
DTXSID: DTXSID60339929
EC Number: 803-398-1

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 181 · 181 - 184°C
Boiling point: 437 · 437.0±38.0 °C(Predicted)
Density: 1.286 · 1.286
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
pka: 4.21 · 4.21±0.20(Predicted)
form: Solid
color: White to Off-White
Stability: Hygroscopic
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.