2-Propylquinoline-4-carboxylic acid
Basic information
- CAS
1019-03-0- Standard SMILES
CCCc1cc(C(=O)O)c2ccccc2n1- InChIKey
GHWNIFKWPIVEPC-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 2-Propylquinoline-4-carboxylic acid
- IUPAC
- 2-propylquinoline-4-carboxylic acid
- English name
- 2-propylquinoline-4-carboxylic acid
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
2-propylquinoline-4-carboxylic acid1019-03-0DTXSID50357576RefChem:266437DTXCID40308633893-859-34-quinolinecarboxylic acid, 2-propyl-MFCD013256472-propyl-4-quinolinecarboxylic acidMLS000531342Cambridge id 7270977Oprea1_200991
Show more names
SCHEMBL1133916CHEMBL1472584HMS2445G18ALBB-011587BBL013723STK332727AKOS003297060SB68857
Database identifiers
- CAS
1019-03-0- PubChem CID
- 854375
- DTXSID
DTXSID50357576- ChEMBL
CHEMBL1472584- EC Number
- 893-859-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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