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144385-79-5 molecular structure
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1-(3-bromopropyl)-1H-imidazole

ChemBase ID: 309059
Molecular Formular: C6H9BrN2
Molecular Mass: 189.05306
Monoisotopic Mass: 187.9949103
SMILES and InChIs

SMILES:
n1cn(cc1)CCCBr
Canonical SMILES:
BrCCCn1cncc1
InChI:
InChI=1S/C6H9BrN2/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2
InChIKey:
SMHXSOKKHVQCMW-UHFFFAOYSA-N

Cite this record

CBID:309059 http://www.chembase.cn/molecule-309059.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-bromopropyl)-1H-imidazole
IUPAC Traditional name
1-(3-bromopropyl)imidazole
Synonyms
1-(3-bromopropyl)-1H-imidazole
CAS Number
144385-79-5
MDL Number
MFCD11164480

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) 0.45554513  LogD (pH = 7.4) 0.9197133 
Log P 0.9883967  Molar Refractivity 41.1017 cm3
Polarizability 15.366188 Å3 Polar Surface Area 17.82 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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