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CAS Number: 16298-03-6
methyl 3-aminopyrazine-2-carboxylate

Structure

 methyl 3-aminopyrazine-2-carboxylate
Name: methyl 3-aminopyrazine-2-carboxylate
Synonyms:
General Information
Product Number: 16298036
CAS Registry Number: 16298-03-6
Name:
2-​Pyrazinecarboxylic acid, 3-​amino-​, methyl ester
Pyrazinecarboxylic acid, 3-​amino-​, methyl ester (7CI,​8CI,​9CI); Pyrazinoic acid, 3-​amino-​, methyl ester (6CI); 2-​Amino-​3-​(methoxycarbonyl)​pyrazine; 3-​Aminopyrazine-​2-​carboxylic acid methyl ester; Methyl 2-​aminopyrazine-​3-​carboxylate; Methyl 3-​aminopyrazine-​2-​carboxylate; Methyl 3-​aminopyrazinecarboxy​late; NSC 123649 
 
Chemical Formula: C6H7N3O2
Exact Mass: 153.05
Molecular Weight: 153.14
m/z: 153.05 (100.0%), 154.06 (6.6%), 154.05 (1.1%)
Elemental Analysis: C, 47.06; H, 4.61; N, 27.44; O, 20.90
 
InChI: InChI=1S/C6H7N3O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3,(H2,7,9)
InChIKey: INCSQLZZXBPATR-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC=CN=C1N
 
Thermal Properties Value Condition Note
Melting Point 172-173 °C   (8)IC
Melting Point 172 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 172 °C   (9)CAS
Melting Point 170-171.5 °C   (10)IC

Specification

98%
References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Holzer, Wolfgang; Magnetic Resonance in Chemistry 2009, V47(7), P617-624 CAPLUS
  5. (5) Farran, M. Angeles; Journal of Molecular Structure 2005, V741(1-3), P67-75 CAPLUS
  6. (6) Ng, Seik Weng; Chinese Journal of Structural Chemistry 2014, V33(2), P294-303 CAPLUS
  7. (7) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  8. (8) Vontor, Tomas; Collection of Czechoslovak Chemical Communications 1989, V54(5), P1306-10 CAPLUS
  9. (9) Ellingson, Rudolph C.; Journal of the American Chemical Society 1945, V67, P1711-13 CAPLUS
  10. (10) Biernat, Jan; PL 147901 B1 1989 CAPLUS
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