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446286-94-8 molecular structure
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5-bromo-N,N-dimethylpyrazin-2-amine

ChemBase ID: 804153
Molecular Formular: C6H8BrN3
Molecular Mass: 202.05182
Monoisotopic Mass: 200.99015927
SMILES and InChIs

SMILES:
N(C)(C)c1cnc(cn1)Br
Canonical SMILES:
CN(c1ncc(nc1)Br)C
InChI:
InChI=1S/C6H8BrN3/c1-10(2)6-4-8-5(7)3-9-6/h3-4H,1-2H3
InChIKey:
FWXYKLVSUHVGKN-UHFFFAOYSA-N

Cite this record

CBID:804153 http://www.chembase.cn/molecule-804153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N,N-dimethylpyrazin-2-amine
IUPAC Traditional name
5-bromo-N,N-dimethylpyrazin-2-amine
Synonyms
(5-BROMO-2-PYRAZINYL)DIMETHYLAMINE
CAS Number
446286-94-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21010 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21010 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2146661  LogD (pH = 7.4) 1.2146769 
Log P 1.214677  Molar Refractivity 44.9513 cm3
Polarizability 16.320906 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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