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CAS Number: 5468-34-8
2-amino-4,6-dimethylnicotinonitrile

Structure

 2-amino-4,6-dimethylnicotinonitrile
Name: 2-amino-4,6-dimethylnicotinonitrile
Synonyms:
General Information
Product Number: 5468348

CAS Registry Number 5468-34-8
Name:
3-?Pyridinecarbonitrile?, 2-?amino-?4,?6-?dimethyl-
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
2-Amino-3-cyano-4,6-dimethylpyridine
2-Amino-4,6-dimethylnicotinonitrile
NSC 25393

 

Chemical Formula: C8H9N3
Exact Mass: 147.08
Molecular Weight: 147.18
m/z: 147.08 (100.0%), 148.08 (9.8%)

 

InChI:InChI=1S/C8H9N3/c1-5-3-6(2)11-8(10)7(5)4-9/h3H,1-2H3,(H2,10,11)

InChI Key:GCJFVYFSZCMYLU-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=NC(=C1C#N)N)C

 

Thermal Properties Value Condition Note
Melting Point 250-253 °C   (5)IC
Melting Point 249-251 °C   (6)CAS
Melting Point 248-249 °C   (2)IC
Melting Point 213 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 160-162 °C Solv: acetonitrile (75-05-8) (4)IC

Specification

98%
References
  1. (2) Troschuetz, Reinhard; Archiv der Pharmazie (Weinheim, Germany) 1985, V318(9), P777-81 CAPLUS
  2. (3) Katoh, Akira; Chemical & Pharmaceutical Bulletin 1984, V32(8), P2942-6 CAPLUS
  3. (4) Kost, A. N.; Khimiya Geterotsiklicheskikh Soedinenii 1978, (10), P1400-5 CAPLUS
  4. (5) Santilli, Arthur A.; Journal of Medicinal Chemistry 1987, V30(12), P2270-7 CAPLUS
  5. (6) Vanderhorst, Philip J.; Journal of the American Chemical Society 1953, V75, P656-7 CAPLUS
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