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6091-44-7 molecular structure
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piperidine hydrochloride

ChemBase ID: 76876
Molecular Formular: C5H12ClN
Molecular Mass: 121.60848
Monoisotopic Mass: 121.06582707
SMILES and InChIs

SMILES:
N1CCCCC1.Cl
Canonical SMILES:
C1CCCNC1.Cl
InChI:
InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
InChIKey:
VEIWYFRREFUNRC-UHFFFAOYSA-N

Cite this record

CBID:76876 http://www.chembase.cn/molecule-76876.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidine hydrochloride
IUPAC Traditional name
piperidine hydrochloride
Synonyms
Piperidine hydrochloride
Piperidine hydrochloride
哌啶 盐酸盐
哌啶盐酸盐
CAS Number
6091-44-7
EC Number
228-033-8
MDL Number
MFCD00012770
Beilstein Number
3611699
PubChem SID
162041778
24887579
24898558
PubChem CID
2723721

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5751903  LogD (pH = 7.4) -2.1490471 
Log P 0.65748763  Molar Refractivity 26.8354 cm3
Polarizability 10.75224 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
245-248 °C(lit.) expand Show data source
245-248°C expand Show data source
245-250 °C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Vapor Pressure
63.6 mmHg ( 37.8 °C) expand Show data source
Vapor Density
2.94 (vs air) expand Show data source
Storage Warning
Hygroscopic expand Show data source
Toxic expand Show data source
RTECS
TN0400000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
UN2811 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
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
25 expand Show data source
25-37 expand Show data source
Safety Statements
36/37/39-45 expand Show data source
36-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P264-P270-P301+P310-P321-P405-P501A expand Show data source
P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
≥99.0% (AT) expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Quality
crystallized expand Show data source
Empirical Formula (Hill Notation)
C5H11N · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P46105 external link
Packaging
100, 500 g in glass bottle
Application
Reagent for synthesis of:
• Quinoline selenium compounds1
• Peripheral seratonin 5-HT3 receptor ligands2Reactant for synthesis of phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors3Reactant for:
• Mannich reactions4
• Asymmetric hydrogenation of quinolines5
• Chemoselective reductive amination of carbonyl compounds6
Sigma Aldrich - 80680 external link
Application
Reagent for synthesis of:
• Quinoline selenium compounds1
• Peripheral seratonin 5-HT3 receptor ligands2Reactant for synthesis of phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors3Reactant for:
• Mannich reactions4
• Asymmetric hydrogenation of quinolines5
• Chemoselective reductive amination of carbonyl compounds6

REFERENCES

REFERENCES

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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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