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CAS Number: 21987-25-7
5-methoxy-3-methyl-1H-indole

Structure

5-methoxy-3-methyl-1H-indole
Name: 5-methoxy-3-methyl-1H-indole
Synonyms:
General Information
Product Number: 21987257

CAS Registry Number 21987-25-7
Name:
1H-?Indole, 5-?methoxy-?3-?methyl-
Indole, 5-methoxy-3-methyl- (7CI,8CI)
5-Methoxy-3-methyl-1H-indole
5-Methoxy-3-methylindole
5-Methoxyskatole

 

Chemical Formula: C10H11NO
Exact Mass: 161.08
Molecular Weight: 161.20
m/z: 161.08 (100.0%), 162.09 (11.0%)

 

InChI:InChI=1S/C10H11NO/c1-7-6-11-10-4-3-8(12-2)5-9(7)10/h3-6,11H,1-2H3

InChI Key:YSOFHURJVUIKMU-UHFFFAOYSA-N

Canonical SMILES:CC1=CNC2=C1C=C(C=C2)OC

 

Thermal Properties Value Condition Note
Boiling Point 50-60 °C   (1)CAS
Melting Point 66 °C Solv: methanol (67-56-1) (3)IC
Melting Point 64-66 °C Solv: hexane (110-54-3) (4)CAS
Melting Point 64-65 °C Solv: hexane (110-54-3) (5)IC
Melting Point 62-64 °C   (6)CAS
Melting Point 60-62 °C   (6)CAS

Specification

98%

References
  1. (1) Spath, Ernst; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1925, V58B, P518-23 CAPLUS
  2. (3) Fleming, Ian; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (3), P827-8 CAPLUS
  3. (4) Kobayashi, Kazuhiro; Heterocycles 2010, V81(2), P433-439 CAPLUS
  4. (5) Makosza, Mieczyslaw; Liebigs Annalen der Chemie 1988, (3), P203-8 CAPLUS
  5. (6) Julia, Marc; Bulletin de la Societe Chimique de France 1962, P2267-9 CAPLUS
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