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54288-70-9 molecular structure
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4-bromopiperidine hydrobromide

ChemBase ID: 69989
Molecular Formular: C5H11Br2N
Molecular Mass: 244.95554
Monoisotopic Mass: 242.92582336
SMILES and InChIs

SMILES:
N1CCC(CC1)Br.Br
Canonical SMILES:
BrC1CCNCC1.Br
InChI:
InChI=1S/C5H10BrN.BrH/c6-5-1-3-7-4-2-5;/h5,7H,1-4H2;1H
InChIKey:
LVTIZXGNLIKUQZ-UHFFFAOYSA-N

Cite this record

CBID:69989 http://www.chembase.cn/molecule-69989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromopiperidine hydrobromide
IUPAC Traditional name
4-bromopiperidine hydrobromide
Synonyms
4-Bromopiperidine hydrobromide
4-BromopiperidineHBr
4-Bromopiperidine hydrobromide
4-溴哌啶 氢溴酸盐
CAS Number
54288-70-9
MDL Number
MFCD00191858
PubChem SID
162035714
24866426
PubChem CID
2734676

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4818745  LogD (pH = 7.4) -1.2717384 
Log P 0.66526824  Molar Refractivity 34.4522 cm3
Polarizability 13.481014 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
199-202 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H10BrN · HBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 422320 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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