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2008-75-5 molecular structure
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1-(2-chloroethyl)piperidine hydrochloride

ChemBase ID: 70216
Molecular Formular: C7H15Cl2N
Molecular Mass: 184.1067
Monoisotopic Mass: 183.05815485
SMILES and InChIs

SMILES:
N1(CCCCC1)CCCl.Cl
Canonical SMILES:
ClCCN1CCCCC1.Cl
InChI:
InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
InChIKey:
VFLQQZCRHPIGJU-UHFFFAOYSA-N

Cite this record

CBID:70216 http://www.chembase.cn/molecule-70216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-chloroethyl)piperidine hydrochloride
IUPAC Traditional name
1-(2-chloroethyl)piperidine hydrochloride
Synonyms
2-Piperidinoethyl chloride hydrochloride
1-(2-Chloroethyl)piperidine hydrochloride
N-(β-CHLOROETHYL)PIPERIDINE HCl
1-(2-Chloroethyl)piperidine hydrochloride
1-(2-Chloroethyl)piperidine hydrochloride 98%
2-(1-Piperidino)ethyl chloride hydrochloride
2-哌啶乙基氯 盐酸盐
1-(2-氯乙基)哌啶 盐酸盐
1-(2-氯乙基)哌啶盐酸盐
CAS Number
2008-75-5
EC Number
217-920-5
MDL Number
MFCD00012837
Beilstein Number
3910268
PubChem SID
24892678
162035939
PubChem CID
74826

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1089522  LogD (pH = 7.4) 0.6530636 
Log P 1.7050254  Molar Refractivity 41.4734 cm3
Polarizability 16.23566 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
229-235°C expand Show data source
230-232 °C expand Show data source
230-232 °C(lit.) expand Show data source
232 - 234°C expand Show data source
Hydrophobicity(logP)
0.0 expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
Toxic/Corrosive expand Show data source
RTECS
TM6482500 expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2928 expand Show data source
UN2928 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
28-34 expand Show data source
28-34-68 expand Show data source
Safety Statements
26-28-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H314 expand Show data source
H300-H314-H318-H341 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P264-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2928 6.1/PG 2 expand Show data source
Purity
≥97.0% (AT) expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C7H14ClN · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214244 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C42602 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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