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957230-70-5 molecular structure
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3,6-dibromopyrazin-2-amine

ChemBase ID: 63580
Molecular Formular: C4H3Br2N3
Molecular Mass: 252.89472
Monoisotopic Mass: 250.86937111
SMILES and InChIs

SMILES:
c1(cnc(Br)c(N)n1)Br
Canonical SMILES:
Brc1cnc(c(n1)N)Br
InChI:
InChI=1S/C4H3Br2N3/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,7,9)
InChIKey:
ZEDFFSRZLCREEN-UHFFFAOYSA-N

Cite this record

CBID:63580 http://www.chembase.cn/molecule-63580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6-dibromopyrazin-2-amine
IUPAC Traditional name
3,6-dibromopyrazin-2-amine
Synonyms
3,6-Dibromopyrazin-2-amine
3,6-Dibromo-2-pyrazinamine
2-Amino-3,6-dibromopyrazine
CAS Number
957230-70-5
MDL Number
MFCD11040377
PubChem SID
162029319
PubChem CID
51051665

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.360804  H Acceptors
H Donor LogD (pH = 5.5) 1.2519817 
LogD (pH = 7.4) 1.2519819  Log P 1.2519819 
Molar Refractivity 43.6881 cm3 Polarizability 15.982159 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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