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54126-45-3 molecular structure
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3-chloro-N,N-dimethylpyrazin-2-amine

ChemBase ID: 308900
Molecular Formular: C6H8ClN3
Molecular Mass: 157.60082
Monoisotopic Mass: 157.04067495
SMILES and InChIs

SMILES:
c1(c(nccn1)Cl)N(C)C
Canonical SMILES:
CN(c1nccnc1Cl)C
InChI:
InChI=1S/C6H8ClN3/c1-10(2)6-5(7)8-3-4-9-6/h3-4H,1-2H3
InChIKey:
OYOQJUBQXIJGFR-UHFFFAOYSA-N

Cite this record

CBID:308900 http://www.chembase.cn/molecule-308900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-N,N-dimethylpyrazin-2-amine
IUPAC Traditional name
3-chloro-N,N-dimethylpyrazin-2-amine
Synonyms
3-chloro-N,N-dimethyl-2-pyrazinamine
CAS Number
54126-45-3
MDL Number
MFCD12827499

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0646065  LogD (pH = 7.4) 1.064624 
Log P 1.0646242  Molar Refractivity 42.3524 cm3
Polarizability 15.343558 Å3 Polar Surface Area 29.02 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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