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848366-38-1 molecular structure
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6-chloro-N-methylpyrazin-2-amine

ChemBase ID: 49211
Molecular Formular: C5H6ClN3
Molecular Mass: 143.57424
Monoisotopic Mass: 143.02502489
SMILES and InChIs

SMILES:
n1c(NC)cncc1Cl
Canonical SMILES:
CNc1cncc(n1)Cl
InChI:
InChI=1S/C5H6ClN3/c1-7-5-3-8-2-4(6)9-5/h2-3H,1H3,(H,7,9)
InChIKey:
PGGYLQQGCOJVSS-UHFFFAOYSA-N

Cite this record

CBID:49211 http://www.chembase.cn/molecule-49211.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-N-methylpyrazin-2-amine
IUPAC Traditional name
6-chloro-N-methylpyrazin-2-amine
Synonyms
6-Chloro-N-methyl-2-pyrazinamine
6-Chloro-N-methylpyrazin-2-amine
2-Chloro-6-(methylamino)pyrazine
6-Chloro-N-methylpyrazin-2-amine
CAS Number
848366-38-1
MDL Number
MFCD09878383
PubChem SID
162053974
PubChem CID
26967011

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.644325  H Acceptors
H Donor LogD (pH = 5.5) 0.4293575 
LogD (pH = 7.4) 0.42935845  Log P 0.42935848 
Molar Refractivity 38.1176 cm3 Polarizability 13.514652 Å3
Polar Surface Area 37.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
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
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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