CAS 339290-20-9 Ethyl 7-aminoquinoline-3-carboxylate (HCID 9877801)

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Basic information

CAS: 339290-20-9
Standard SMILES: CCOC(=O)c1cnc2cc(N)ccc2c1
InChIKey: ILSSELQOYSUBGG-UHFFFAOYSA-N
Molecular formula: C12H12N2O2
Average molar mass: 216.24 g/mol
Monoisotopic mass: 216.08987762

Names & identifiers

Preferred name: Ethyl 7-aminoquinoline-3-carboxylate
IUPAC: ethyl 7-aminoquinoline-3-carboxylate
English name: ethyl 7-aMinoquinoline-3-carboxylate
Molecular formula: C12H12N2O2
Molecular weight: 216.24

Names & synonyms

Ethyl 7-aminoquinoline-3-carboxylate339290-20-9DTXSID60432202RefChem:344626DTXCID90383031MFCD183777517-aminoquinoline-3-carboxylic acid ethyl ester7-amino-quinoline-3-carboxylic acid ethyl esterSCHEMBL5647010ILSSELQOYSUBGG-UHFFFAOYSA-NEthyl7-aminoquinoline-3-carboxylateAKOS025146668

Show more names

3-Quinolinecarboxylic acid, 7-amino-, ethyl ester

SB70313AS-41395SY241273DB-318240CS-0343018F305800

Database identifiers

CAS: 339290-20-9
PubChem CID: 9877801
DTXSID: DTXSID60432202
EC Number: 983-310-7

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 65.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 257

Physicochemical properties

Boiling point: 380.4 · 380.4±22.0 °C(Predicted)
Density: 1.246 · 1.246±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.88 · 4.88±0.25(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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.