CAS 21233-61-4 Methyl quinoline-4-carboxylate (HCID 3002895)

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Basic information

CAS: 21233-61-4
Standard SMILES: COC(=O)c1ccnc2ccccc12
InChIKey: KPZUGRPXEZGEGE-UHFFFAOYSA-N
Molecular formula: C11H9NO2
Average molar mass: 187.19 g/mol
Monoisotopic mass: 187.06332853

Names & identifiers

Preferred name: Methyl quinoline-4-carboxylate
IUPAC: methyl quinoline-4-carboxylate
English name: RARECHEM AL BF 0184
Molecular formula: C11H9NO2
Molecular weight: 187.19

Names & synonyms

methyl quinoline-4-carboxylate21233-61-4DTXSID10388240RefChem:356858DTXCID60339262methyl 4-quinolinecarboxylateMFCD01366551Methyl quinoline-4-carboxylate (~90%)RARECHEM AL BF 0184Quinoline-4-carboxylic acid methyl ester4-Quinolinecarboxylic acid methyl esterQuinoline-4-methyl ester

Show more names

Methyl quinoline-4-carboxylate - [M9558]

4-QUINOLINECARBOXYLIC ACID,METHYL ESTERmethylquinoline-4-carboxylateSCHEMBL827693SCHEMBL28348041YQF40014-quinolinecarboxylic methyl esterKPZUGRPXEZGEGE-UHFFFAOYSA-NWAA23361

Database identifiers

CAS: 21233-61-4
PubChem CID: 3002895
DTXSID: DTXSID10388240
Nikkaji: J1.830.174A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Physicochemical properties

storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Oil
color: Colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
HS Code: 2933499090 · 2933499090

Safety & regulation

Safety data

hs_code: 2933499090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501