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CAS Number: 16502-01-5
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Structure

2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Synonyms:
General Information
Product Number: 16502015

CAS Registry Number 16502-01-5
Name:
1H-?Pyrido[3,?4-?b]?indole, 2,?3,?4,?9-?tetrahydro-
2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole
1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole
1,2,3,4-Tetrahydro-β-carboline
2,3,4,9-Tetrahydro-1H-β-carboline
Noreleagnine

 

Chemical Formula: C11H12N2
Exact Mass: 172.10
Molecular Weight: 172.23
m/z: 172.10 (100.0%), 173.10 (12.6%)

 

InChI:InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2

InChI Key:CFTOTSJVQRFXOF-UHFFFAOYSA-N

Canonical SMILES:C1CNCC2=C1C3=CC=CC=C3N2

 

Thermal Properties Value Condition Note
Melting Point 285-287 °C Solv: ethanol (64-17-5) (10)IC
Melting Point 207 °C   (11)CAS
Melting Point 204-205 °C   (12)CAS
Melting Point 203-205 °C Solv: benzene (71-43-2) (13)CAS
Melting Point 200-202 °C   (14)IC
Melting Point 199-201 °C   (15)CAS

Specification

98%

References
  1. (10) Lehmann, Jochen; Archiv der Pharmazie (Weinheim, Germany) 1987, V320(1), P30-6 CAPLUS
  2. (11) Rook, Yvonne; Journal of Medicinal Chemistry 2010, V53(9), P3611-3617 CAPLUS
  3. (12) Asahina, Y.; Yakugaku Zasshi 1927, VNo. 545, P541-5 CAPLUS
  4. (13) Teuber, Hans Joachim; Chemische Berichte 1964, V97(2), P557-62 CAPLUS
  5. (14) Gynther, Jukka; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry 1988, VB42(7), P433-41 CAPLUS
  6. (15) Dora, Mrs. Laszlo; Acta Pharmaceutica Hungarica 1968, V38(2-3), P78-83 CAPLUS
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