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CAS Number: 41234-43-9
ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Structure

ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Name: ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Synonyms:
General Information
Product Number: 41234439
CAS Registry Number: 41234-43-9
Name:
3-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​, ethyl ester
(±)​-​Ethyl 1,​2,​3,​4-​tetrahydroisoquinoli​ne-​3-​carboxylate; 1,​2,​3,​4-​Tetrahydroisoquinoli​ne-​3-​carboxylic acid ethyl ester; Ethyl 1,​2,​3,​4-​tetrahydroisoquinoli​ne-​3-​carboxylate 
Deleted CAS Registry Numbers: 55857-​63-​1
 
Chemical Formula: C12H15NO2
Exact Mass: 205.11
Molecular Weight: 205.25
m/z: 205.11 (100.0%), 206.11 (13.4%)
Elemental Analysis: C, 70.22; H, 7.37; N, 6.82; O, 15.59
 
InChI: InChI=1S/C12H15NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-6,11,13H,2,7-8H2,1H3
InChIKey: RGHMPTHWVVRXHW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1CC2=CC=CC=C2CN1
 
Thermal Properties Value Condition Note
Boiling Point 120 °C Press: 1 Torr (1)CAS
Melting Point 204 °C   (2)CAS

Specification

98%

References
  1. (1) Clemo, G. R.; Journal of the Chemical Society 1946, P617-21 CAPLUS
  2. (2) Clemo, G. R.; Journal of the Chemical Society 1954, P95-9 CAPLUS
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