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162103723 molecular structure
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3-(bromomethyl)-1-ethylpyrrolidine hydrobromide

ChemBase ID: 71621
Molecular Formular: C7H15Br2N
Molecular Mass: 273.0087
Monoisotopic Mass: 270.95712349
SMILES and InChIs

SMILES:
N1(CC(CC1)CBr)CC.Br
Canonical SMILES:
BrCC1CCN(C1)CC.Br
InChI:
InChI=1S/C7H14BrN.BrH/c1-2-9-4-3-7(5-8)6-9;/h7H,2-6H2,1H3;1H
InChIKey:
DDQCVCPWGZSICV-UHFFFAOYSA-N

Cite this record

CBID:71621 http://www.chembase.cn/molecule-71621.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(bromomethyl)-1-ethylpyrrolidine hydrobromide
IUPAC Traditional name
3-(bromomethyl)-1-ethylpyrrolidine hydrobromide
Synonyms
3-(Bromomethyl)-1-ethylpyrrolidine hydrobromide
PubChem SID
162103723
PubChem CID
71299904

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 71299904 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6081947  LogD (pH = 7.4) 0.07589265 
Log P 1.4627129  Molar Refractivity 44.6137 cm3
Polarizability 17.0981 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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