2-Aminoquinoline-3-carboxylic acid
Basic information
- CAS
31407-29-1- Standard SMILES
Nc1nc2ccccc2cc1C(=O)O- InChIKey
PUBYDOJONNWFJJ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 2-Aminoquinoline-3-carboxylic acid
- IUPAC
- 2-aminoquinoline-3-carboxylic acid
- English name
- 2-Aminoquinoline-3-carboxylic acid
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
2-aminoquinoline-3-carboxylic acidDTXSID80300676RefChem:465217DTXCID80251811854-959-231407-29-1MFCD011105582-amino-3-quinolinecarboxylic acid2-AMINOQUINOLINE-3-CARBOXYLICACIDNSC138302SCHEMBL5195648SCHEMBL30972572
Show more names
2-Aminoquinoline-3-carboxylicaci3-Quinolinecarboxylic acid, 2-amino-3-Quinolinecarboxylicacid,2-amino-(8CI,9CI)2-AMINOQUINOLINE-3-CARBOXYLIC ACID USP/EP/BP
PUBYDOJONNWFJJ-UHFFFAOYSA-NGBA40729AC1535AKOS004905385NSC 138302NSC-138302SB21312CS-12247
Database identifiers
- CAS
31407-29-1- PubChem CID
- 283476
- DTXSID
DTXSID80300676- EC Number
- 854-959-2
- Nikkaji
- J88.722F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 290 · 290-292 °C (decomp)
- Boiling point
- 383.3 · 383.3±32.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.94 · 2.94±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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