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CAS Number: 16357-69-0
4-aminopyrimidine-5-carbonitrile

Structure

4-aminopyrimidine-5-carbonitrile
Name: 4-aminopyrimidine-5-carbonitrile
Synonyms:
General Information
Product Number: 16357690

CAS Registry Number 16357-69-0
Name:
5-​Pyrimidinecarbonitri​le, 4-​amino-
4-Amino-5-cyanopyrimidine
4-Amino-5-pyrimidinecarbonitrile

 

Chemical Formula: C5H4N4
Exact Mass: 120.04
Molecular Weight: 120.11
m/z: 120.04 (100.0%), 121.05 (5.5%), 121.04 (1.5%)

 

InChI:InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)

InChI Key:JAIYUIOGVNRXEW-UHFFFAOYSA-N

Canonical SMILES:C1=C(C(=NC=N1)N)C#N

 

Thermal Properties Value Condition Note
Melting Point 257-259 °C Solv: acetone (67-64-1) (3)IC
Melting Point 255-256 °C   (4)CAS
Melting Point 255-256 °C Solv: water (7732-18-5) (5)CAS
Melting Point 250-252 °C Solv: water (7732-18-5) (6)CAS
Melting Point 250 °C   (7)CAS
Melting Point 250 °C   (5)CAS

Specification

98%

References
  1. (3) Kantlehner, Willi; Liebigs Annalen der Chemie 1980, (3), P372-88 CAPLUS
  2. (4) Kreutzberger, Alfred; Journal of Organic Chemistry 1961, V26, P1121-6 CAPLUS
  3. (5) von Angerer, S.; Science of Synthesis 2004, V16, P379-572 CAPLUS
  4. (6) Taylor, Edward C., Jr.; Journal of the American Chemical Society 1960, V82, P6058-64 CAPLUS
  5. (7) Baddiley, J.; Journal of the Chemical Society 1943, P386-7 CAPLUS
  6. (8) FR 1470072 1967 CAPLUS
  7. (9) Brown, D. J.; Journal of the Chemical Society 1953, P331-7 CAPLUS
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