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CAS Number: 103733-65-9
(R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Structure

(R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Name: (R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Synonyms:
General Information
Product Number: 103733659
CAS Registry Number: 103733-65-9
Name:
        3-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​, (3R)​-
        3-​Isoquinolinecarboxyl​ic acid, 1,​2,​3,​4-​tetrahydro-​, (R)​-; (3R)​-​1,​2,​3,​4-​Tetrahydro-​3-​isoquinolinecarboxyl​ic acid; (3R)​-​1,​2,​3,​4-​Tetrahydroisoquinoli​ne-​3-​carboxylic acid; (R)​-​1,​2,​3,​4-​Tetrahydroisoquinoli​ne-​3-​carboxylic acid; (R)​-​1,​2,​3,​4-​Tetrahydroisoquinoli​ne-​3-​carboxylic acid; D-​1,​2,​3,​4-​Tetrahydroisoquinoli​ne-​3-​carboxylic; D-​1,​2,​3,​4-​Tetrahydroisoquinoli​ne-​3-​carboxylic acid 
 
Chemical Formula: C10H11NO2
Exact Mass: 177.08
Molecular Weight: 177.20
m/z: 177.08 (100.0%), 178.08 (11.3%)
Elemental Analysis: C, 67.78; H, 6.26; N, 7.90; O, 18.06
 
InChI: InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m1/s1
InChIKey: BWKMGYQJPOAASG-SECBINFHSA-N
Canonical SMILES : C1C(NCC2=CC=CC=C21)C(=O)O
Isomeric SMILES: C1[C@@H](NCC2=CC=CC=C21)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 320-323 °C (decomp)   (2)CAS
Melting Point 306-309 °C   (3)IC
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Liu, Keliang; CN 1467219 A 2004 CAPLUS
  2. (2) Qie, Jiankun; International Journal of Peptide Research and Therapeutics 2009, V15(3), P187-194 CAPLUS
  3. (3) Hruby, Victor J.; Collection of Czechoslovak Chemical Communications 1988, V53(11A), P2549-73 CAPLUS
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