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CAS Number: 3589-72-8
6-methoxy-1-methyl-9H-pyrido[3,4-b]indole

Structure

 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
Name: 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
Synonyms:
General Information
Product Number: 3589728

CAS Registry Number 3589-72-8
Name:
9H-?Pyrido[3,?4-?b]?indole, 6-?methoxy-?1-?methyl-
6-Methoxyharman
6-Methoxyharmane
Coharmine
Isoharmine
NSC 92536

 

Chemical Formula: C13H12N2O
Exact Mass: 212.09
Molecular Weight: 212.25
m/z: 212.09 (100.0%), 213.10 (14.2%), 214.10 (1.2%)

 

InChI:InChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3

InChI Key:XYYVPBBISSKKQB-UHFFFAOYSA-N

Canonical SMILES:CC1=NC=CC2=C1NC3=C2C=C(C=C3)OC

 

Thermal Properties Value Condition Note
Melting Point 269-269 °C   (3)CAS
Melting Point 246-247 °C (decomp)   (4)CAS
Melting Point 200 °C (decomp)   (2)IC

Specification

98%
References
  1. (2) Ayoub, Mikdad T.; Phytochemistry 1991, V30(3), P1046-7 CAPLUS
  2. (3) Marchant, R. H.; Journal of the Chemical Society 1951, P1808-11 CAPLUS
  3. (4) Doig, G. G.; Journal of the Chemical Society 1952, P3912-16 CAPLUS
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