Ethyl 2-aminoquinoline-3-carboxylate

HCID 283477

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 36926-83-7
Standard SMILES: CCOC(=O)c1cc2ccccc2nc1N
InChIKey: VTWSVSQLRSMHDM-UHFFFAOYSA-N
Molecular formula: C12H12N2O2
Average molar mass: 216.24 g/mol
Monoisotopic mass: 216.08987762

Names & identifiers

Preferred name: Ethyl 2-aminoquinoline-3-carboxylate
IUPAC: ethyl 2-aminoquinoline-3-carboxylate
English name: 2-AMINO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Molecular formula: C12H12N2O2
Molecular weight: 216.24

Names & synonyms

ethyl 2-aminoquinoline-3-carboxylateDTXSID40300677RefChem:594215DTXCID40251812988-528-636926-83-72-Amino-quinoline-3-carboxylic acid ethyl esterMFCD011105553-Quinolinecarboxylic acid, 2-amino-, ethyl esterNSC138303SCHEMBL5193947HMS1700E08

Show more names

2-Amino-3-quinolinecarboxylic acid ethyl ester

ALBB-010391ethyl 2-amino-3-quinolinecarboxylateEthyl-2-aminoquinoline-3-carboxylateSBB013462AKOS000643682FE29513NSC-138303SB36864

Database identifiers

CAS: 36926-83-7
PubChem CID: 283477
DTXSID: DTXSID40300677
EC Number: 988-528-6
Nikkaji: J89.140A

Properties

Computed structural properties

XLogP: 2.6
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

Melting point: 135 °C · 135 °C
Boiling point: 348.9 · 348.9±22.0 °C(Predicted)
Density: 1.246 · 1.246±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.84 · 4.84±0.50(Predicted)
form: solid
InChI: 1S/C12H12N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h3-7H,2H2,1H3,(H2,13,14)
InChIKey: VTWSVSQLRSMHDM-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cc2ccccc2nc1N
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
Storage Class: 11 · 11 - Combustible Solids

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.