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CAS Number: 1670-85-5
1H-indole-3-carboxamide

Structure

1H-indole-3-carboxamide
Name: 1H-indole-3-carboxamide
Synonyms:
General Information
Product Number: 1670855

CAS Registry Number 1670-85-5
Name:
1H-?Indole-?3-?carboxamide
Indole-3-carboxamide (6CI,7CI,8CI)

 

Chemical Formula: C9H8N2O
Exact Mass: 160.06
Molecular Weight: 160.17
m/z: 160.06 (100.0%), 161.07 (9.9%)

 

InChI:InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)

InChI Key:LSGKMZLPZFPAIN-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C(=O)N

 

Thermal Properties Value Condition Note
Melting Point 201 °C   (3)CAS
Melting Point 201 °C   (4)IC
Melting Point 199-200 °C Solv: acetonitrile (75-05-8) (5)IC
Melting Point 197-199 °C   (6)CAS
Melting Point 196-197 °C Solv: water (7732-18-5) (7)CAS
Melting Point 195-195.5 °C   (2)IC

Specification

98%

References
  1. (2) Kelarev, V. I.; Khimiya Geterotsiklicheskikh Soedinenii 1980, (5), P645-50 CAPLUS
  2. (3) Sanna, G.; Rend. seminario facolta sci. univ. Cagliari 1934, V4, P28-33 CAPLUS
  3. (4) Mehta, Goverdhan; Synthesis 1978, (5), P374-6 CAPLUS
  4. (5) Bergman, Jan; Journal of Heterocyclic Chemistry 1977, V14(7), P1123-34 CAPLUS
  5. (6) Ferro, Stefania; Heterocycles 2009, V78(4), P947-959 CAPLUS
  6. (7) Doyle, F. P.; Journal of the Chemical Society 1956, P2853-7 CAPLUS
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