1-(2-Chloroethyl)piperidine

HCID 74827CAS 1932-03-2

Substructure search Find similar structures

Basic information

Standard SMILES: ClCCN1CCCCC1
InChIKey: WNRWEBKEQARBKV-UHFFFAOYSA-N
Molecular formula: C7H14ClN
Average molar mass: 147.64 g/mol
Monoisotopic mass: 147.08147713

Names & identifiers

Preferred name: 1-(2-Chloroethyl)piperidine
IUPAC: 1-(2-chloroethyl)piperidine
English name: 1-(2-Chloroethyl)-piperidine
Molecular formula: C7H14ClN
Molecular weight: 147.65

Names & synonyms

1-(2-Chloroethyl)piperidinePiperidine, 1-(2-chloroethyl)-BRN 0001184AI3-16194DTXSID901729225-20-02-00026 (Beilstein Handbook Reference)RefChem:223359DTXCID0095413WNRWEBKEQARBKV-UHFFFAOYSA-N1932-03-21-(2-chloroethyl)-piperidine2-Piperidinoethyl chloride

Show more names

SKF-191AKOS MSC-0734N-Chloroethyl piperidine2-piperidinoethylchloride1-(2-chloroethyl)-piperidinbeta-piperidinoethylchloride2-(1-piperidyl)ethylchloride

N-(2-Chloroethyl)piperidine2-(1-Piperidyl)ethyl chloridebeta-Piperidinoethyl chlorideMFCD001291771-(2-chloro-ethyl)-piperidineSKF 1912-Chloroethyl piperidine1-(2-chloroethyl) piperidine

Database identifiers

CAS: 1932-03-2
PubChem CID: 74827
DTXSID: DTXSID90172922
ChEMBL: CHEMBL4597782
UNII: E83CFZ7SZD
EC Number: 113-185-9
Nikkaji: J77.376J

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 69.3

Physicochemical properties

Melting point: 229 · 229-230 °C(Solv: chloroform (67-66-3); acetone (67-64-1))
Boiling point: 47 °C · 47 °C(Press: 1 Torr)
Density: 1.008 · 1.008±0.06 g/cm3(Predicted)
pka: 8.33 · 8.33±0.10(Predicted)
CAS DataBase Reference: 1932 · 1932-03-2(CAS DataBase Reference)
FDA UNII: 83 CFZ7SZD · E83CFZ7SZD
Symbol(GHS): 6 · GHS06,GHS05,GHS07
Signal word: Danger
Hazard statements: 300 · H300-H314-H315-H318-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P310-P301+P330+P331-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P312-P321-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code: 2933399990
Signal word: Danger
Symbol(GHS): GHS06,GHS05,GHS07
Hazard statements: H300-H314-H315-H318-H319-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P310-P301+P330+P331-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P312-P321-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501