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CAS Number: 90946-00-2
2-(4-amino-1H-indol-3-yl)acetonitrile

Structure

2-(4-amino-1H-indol-3-yl)acetonitrile
Name: 2-(4-amino-1H-indol-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 90946002

CAS Registry Number 90946-00-2
Name:
1H-​Indole-​3-​acetonitrile, 4-​amino-
Indole-3-acetonitrile, 4-amino- (7CI)
4-Amino-3-indoleacetonitrile

 

Chemical Formula: C10H9N3
Exact Mass: 171.08
Molecular Weight: 171.20
m/z: 171.08 (100.0%), 172.08 (11.9%)

 

InChI:InChI=1S/C10H9N3/c11-5-4-7-6-13-9-3-1-2-8(12)10(7)9/h1-3,6,13H,4,12H2

InChI Key:HIMPTJQLYYEECH-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)N)C(=CN2)CC#N

 

Thermal Properties Value Condition Note
Melting Point 137-138 °C Solv: methanol (67-56-1) (1)IC

Specification

98%

References

(1) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1985, V33(9), P3696-708 CAPLUS

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