2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
Basic information
- CAS
64500-54-5- Standard SMILES
O=C(O)c1cc2c([nH]c1=O)CCCC2- InChIKey
AUVZLBBKIYHBIO-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
- IUPAC
- 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
- English name
- 2-OXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBOXYLIC ACID
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
64500-54-52-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acidDTXSID30349434RefChem:264802DTXCID70300504838-899-42-Oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acidMFCD019295692-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-F0911-1528
Show more names
AKOS BBS-00005799CHEMBRDG-BB 4400287IFLAB-BB F0911-15282-keto-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid(SALTDATA: FREE)
2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylic acid2-oxo-1,5,6,7,8-pentahydroquinoline-3-carboxylic acidChemDiv2_000473MLS000030207SCHEMBL2902158CHEMBL1391498SCHEMBL17675575SCHEMBL30488939
Database identifiers
- CAS
64500-54-5- PubChem CID
- 647149
- DTXSID
DTXSID30349434- ChEMBL
CHEMBL1391498- EC Number
- 838-899-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 270 °C · 270 °C
- Boiling point
- 545.1 · 545.1±42.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- 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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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