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CAS Number: 15992-11-7
2-(5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile

Structure

 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 15992117

CAS Registry Number 15992-11-7
Name:
1H-?Indole-?3-?acetonitrile, 5-?methoxy-?2-?methyl-
Indole-3-acetonitrile, 5-methoxy-2-methyl- (8CI)

 

Chemical Formula: C12H12N2O
Exact Mass: 200.09
Molecular Weight: 200.24
m/z: 200.09 (100.0%), 201.10 (13.2%), 202.10 (1.1%)

 

InChI:InChI=1S/C12H12N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5H2,1-2H3

InChI Key:CAMHBEZHHXYWLX-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C2=C(N1)C=CC(=C2)OC)CC#N

 

Thermal Properties Value Condition Note
Melting Point 126-128 °C   (2)CAS
Melting Point 115-116 °C Solv: ethyl ether (60-29-7) (3)CAS
Melting Point 112 °C Solv: ethanol (64-17-5) (1)IC

Specification

98%
References
  1. (1) Merour, J. Y.; Synthesis 1982, (12), P1053-6 CAPLUS
  2. (2) Dillard, Robert D.; Journal of Medicinal Chemistry 1996, V39(26), P5119-5136 CAPLUS
  3. (3) NL 6609235 1967 CAPLUS
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