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873-42-7 molecular structure
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3,5-dichloropyrazin-2-amine

ChemBase ID: 67122
Molecular Formular: C4H3Cl2N3
Molecular Mass: 163.99272
Monoisotopic Mass: 162.97040247
SMILES and InChIs

SMILES:
c1(c(nc(cn1)Cl)Cl)N
Canonical SMILES:
Clc1cnc(c(n1)Cl)N
InChI:
InChI=1S/C4H3Cl2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChIKey:
AMRVETKYGCRGPJ-UHFFFAOYSA-N

Cite this record

CBID:67122 http://www.chembase.cn/molecule-67122.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dichloropyrazin-2-amine
IUPAC Traditional name
3,5-dichloropyrazin-2-amine
Synonyms
2-Amino-3,5-dichloropyrazine
CAS Number
873-42-7
MDL Number
MFCD11040179
PubChem SID
162032858
PubChem CID
11586346

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.891178  H Acceptors
H Donor LogD (pH = 5.5) 0.9518731 
LogD (pH = 7.4) 0.9518762  Log P 0.9518762 
Molar Refractivity 38.4903 cm3 Polarizability 13.727873 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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