Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate

HCID 283526

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Basic information

CAS: 177202-62-9
Standard SMILES: COC(=O)C1CNc2ccccc2C1
InChIKey: ARAIDTMLOPPTPE-UHFFFAOYSA-N
Molecular formula: C11H13NO2
Average molar mass: 191.23 g/mol
Monoisotopic mass: 191.09462866

Names & identifiers

Preferred name: Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate
IUPAC: methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
English name: 3-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, Methyl ester
Molecular formula: C11H13NO2
Molecular weight: 191.23

Names & synonyms

methyl 1,2,3,4-tetrahydroquinoline-3-carboxylate177202-62-9Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylateDTXSID401238523RefChem:812459DTXCID801669441816-653-7MFCD145817403-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl esterNSC138386SCHEMBL2031526ARAIDTMLOPPTPE-UHFFFAOYSA-N

Show more names

1,2,3,4-Tetrahydro-3-quinolinecarboxylic acid methyl ester

CHA20262AKOS023490344NSC-138386SY184823DB-334382EN300-55631H42884methyl1,2,3,4-tetrahydroquinoline-3-carboxylate

Database identifiers

CAS: 177202-62-9
PubChem CID: 283526
DTXSID: DTXSID401238523
EC Number: 816-653-7
Nikkaji: J2.880.941G

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 313.8 · 313.8±21.0 °C(Predicted)
Density: 1.125 · 1.125±0.06 g/cm3(Predicted)
pka: 3.86 · 3.86±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501