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138588-41-7 molecular structure
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pyrazine-2-carboximidamide

ChemBase ID: 34779
Molecular Formular: C5H6N4
Molecular Mass: 122.12794
Monoisotopic Mass: 122.05924621
SMILES and InChIs

SMILES:
c1(C(=N)N)nccnc1
Canonical SMILES:
NC(=N)c1cnccn1
InChI:
InChI=1S/C5H6N4/c6-5(7)4-3-8-1-2-9-4/h1-3H,(H3,6,7)
InChIKey:
CEEVRMDYKKNRAW-UHFFFAOYSA-N

Cite this record

CBID:34779 http://www.chembase.cn/molecule-34779.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrazine-2-carboximidamide
IUPAC Traditional name
pyrazine-2-carboximidamide
Synonyms
Pyrazine-2-carboximidamide
CAS Number
138588-41-7
MDL Number
MFCD05663360
PubChem SID
160998086
PubChem CID
470896

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 470896 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.989921  LogD (pH = 7.4) -1.4858333 
Log P -1.1557802  Molar Refractivity 43.0447 cm3
Polarizability 12.249308 Å3 Polar Surface Area 75.65 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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