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13924-94-2 molecular structure
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methyl 5-aminopyrazine-2-carboxylate

ChemBase ID: 160464
Molecular Formular: C6H7N3O2
Molecular Mass: 153.13868
Monoisotopic Mass: 153.05382648
SMILES and InChIs

SMILES:
n1c(cnc(c1)C(=O)OC)N
Canonical SMILES:
COC(=O)c1cnc(cn1)N
InChI:
InChI=1S/C6H7N3O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3,(H2,7,9)
InChIKey:
RPEZSZAVQOVHCZ-UHFFFAOYSA-N

Cite this record

CBID:160464 http://www.chembase.cn/molecule-160464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 5-aminopyrazine-2-carboxylate
IUPAC Traditional name
methyl 5-aminopyrazine-2-carboxylate
Synonyms
5-Amino-2-pyrazinecarboxylic Acid Methyl Ester
2-Aminopyrazine-5-carboxylic Acid Methyl Ester
Methyl 5-aminopyrazine-2-carboxylate
CAS Number
13924-94-2
MDL Number
MFCD09753440
PubChem SID
162254599
PubChem CID
14536427

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14536427 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.644356  H Acceptors
H Donor LogD (pH = 5.5) -0.50724393 
LogD (pH = 7.4) -0.50724024  Log P -0.5072402 
Molar Refractivity 38.4114 cm3 Polarizability 14.192512 Å3
Polar Surface Area 78.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Light Tan to Orange Solid expand Show data source
Melting Point
230-232°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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