CAS Registry Number: 165669-11-4

Name:

1H-​Indole-​3-​carbonitrile, 7-​amino-
7-​Amino-​3-​cyano-​1H-​indole 

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/c10-4-6-5-12-9-7(6)2-1-3-8(9)11/h1-3,5,12H,11H2
InChIKey: KQDFKEMRXVEKKH-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C(=C1)N)NC=C2C#N

Specification

98%

PCT Int. Appl. (2014), WO 2014027300 A1 20140220.                                  

PCT Int. Appl. (2013), WO 2013171690 A1 20131121.