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CAS Number: 131816-47-2
2-amino-1H-indole-3-carbonitrile

Structure

 2-amino-1H-indole-3-carbonitrile
Name: 2-amino-1H-indole-3-carbonitrile
Synonyms:
General Information
Product Number: 131816472

CAS Registry Number 131816-47-2
Name:
1H-?Indole-?3-?carbonitrile, 2-?amino-

 

Chemical Formula: C9H7N3
Exact Mass: 157.06
Molecular Weight: 157.17
m/z: 157.06 (100.0%), 158.07 (9.8%), 158.06 (1.1%)

 

InChI:InChI=1S/C9H7N3/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,12H,11H2

InChI Key:VUJHHCISRCAVOU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(N2)N)C#N

 

Thermal Properties Value Condition Note
Melting Point 194-195 °C   (2)CAS
Melting Point 187-188 °C   (3)CAS
Melting Point 186-187 °C Solv: hexane (110-54-3); tetrahydrofuran (109-99-9) (4)CAS

Specification

98%
References
  1. (2) Yang, Xiaobo; Advanced Synthesis & Catalysis 2010, V352(6), P1033-1038 CAPLUS
  2. (3) Willemann, C.; Bioorganic & Medicinal Chemistry 2009, V17(13), P4406-4419 CAPLUS
  3. (4) Kobayashi, Kazuhiro; Synthesis 2011, (5), P764-768 CAPLUS
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