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38772-14-4 molecular structure
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2H,3H,4H-pyrido[1,2-a]pyrimidine hydrobromide

ChemBase ID: 167725
Molecular Formular: C8H11BrN2
Molecular Mass: 215.09034
Monoisotopic Mass: 214.01056036
SMILES and InChIs

SMILES:
c1ccn2c(=NCCC2)c1.Br
Canonical SMILES:
C1CN=c2n(C1)cccc2.Br
InChI:
InChI=1S/C8H10N2.BrH/c1-2-6-10-7-3-5-9-8(10)4-1;/h1-2,4,6H,3,5,7H2;1H
InChIKey:
QIJIQJJOUYATTM-UHFFFAOYSA-N

Cite this record

CBID:167725 http://www.chembase.cn/molecule-167725.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2H,3H,4H-pyrido[1,2-a]pyrimidine hydrobromide
IUPAC Traditional name
2H,3H,4H-pyrido[1,2-a]pyrimidine hydrobromide
Synonyms
2,3-Dihydro-imidazo[1,2-a]pyridine Monohydrobromide
2,3-Dihydro-imidazo[1,2-a]pyridine Hydrobromide
CAS Number
38772-14-4
PubChem SID
162261858
PubChem CID
71316203

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D449630 external link Add to cart
PubChem 71316203 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 71316203 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.038053  LogD (pH = 7.4) -1.7689248 
Log P 0.37261033  Molar Refractivity 43.1902 cm3
Polarizability 15.390152 Å3 Polar Surface Area 15.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform (partial) expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Grey Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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