1,2,3,4-Tetrahydro-1-methyl-3-oxo-6-quinoxalinecarboxylic acid
Basic information
- CAS
450368-34-0- Standard SMILES
CN1CC(=O)Nc2cc(C(=O)O)ccc21- InChIKey
ZQAREAJRBFNQEW-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914219
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-1-methyl-3-oxo-6-quinoxalinecarboxylic acid
- IUPAC
- 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
- English name
- 1-methyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
- Molecular formula
- C10H10N2O3
- Molecular weight
- 206.2
Names & synonyms
1-methyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid450368-34-0DTXSID3011791301,2,3,4-Tetrahydro-1-methyl-3-oxo-6-quinoxalinecarboxylic acidRefChem:410510DTXCID401610480845-020-81-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic Acid1-methyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic Acid (85%)SCHEMBL3803421CHEMBL1735787SCHEMBL30860393
Show more names
6-Quinoxalinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-3-oxo-
HMS1912H10MFCD03830308AKOS002131009NCGC00139390-01SY176811EN300-51180D87042K783-4691
Database identifiers
- CAS
450368-34-0- PubChem CID
- 4054533
- DTXSID
DTXSID301179130- ChEMBL
CHEMBL1735787- EC Number
- 845-020-8
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 220 °C · >220°C (dec.)
- Boiling point
- 484.5 · 484.5±45.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 4.49 · 4.49±0.20(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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Compound notes
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