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162103916 molecular structure
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2-(bromomethyl)-1-methylpiperidine hydrobromide

ChemBase ID: 71615
Molecular Formular: C7H15Br2N
Molecular Mass: 273.0087
Monoisotopic Mass: 270.95712349
SMILES and InChIs

SMILES:
N1(C(CBr)CCCC1)C.Br
Canonical SMILES:
BrCC1CCCCN1C.Br
InChI:
InChI=1S/C7H14BrN.BrH/c1-9-5-3-2-4-7(9)6-8;/h7H,2-6H2,1H3;1H
InChIKey:
KYUPYPMGNGFEIT-UHFFFAOYSA-N

Cite this record

CBID:71615 http://www.chembase.cn/molecule-71615.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomethyl)-1-methylpiperidine hydrobromide
IUPAC Traditional name
2-(bromomethyl)-1-methylpiperidine hydrobromide
Synonyms
2-(Bromomethyl)-1-methylpiperidine hydrobromide
PubChem SID
162103916
PubChem CID
53444597

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 53444597 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4342574  LogD (pH = 7.4) 1.3182232 
Log P 1.9502878  Molar Refractivity 44.1271 cm3
Polarizability 17.098726 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
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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