N-(3-chloropropyl)piperidine hydrochloride

HCID 79624CAS 5472-49-1

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.ClCCCN1CCCCC1
InChIKey: OBOBUDMMFXRNDO-UHFFFAOYSA-N
Molecular formula: C8H17Cl2N
Average molar mass: 198.13 g/mol
Monoisotopic mass: 197.0738049

Names & identifiers

Preferred name: N-(3-chloropropyl)piperidine hydrochloride
IUPAC: 1-(3-chloropropyl)piperidine;hydrochloride

Names & synonyms

N-(3-Chloropropyl)piperidine hydrochlorideRefChem:826497226-812-71-(3-Chloropropyl)piperidine hydrochloride5472-49-1Piperidine, 1-(3-chloropropyl)-, hydrochlorideMFCD000128381-(3-chloropropyl)piperidine;hydrochlorideEINECS 226-812-7NSC 283341-(3-Chloropropyl)piperidine monohydrochloridePiperidinopropyl chloride, hydrochloride

Show more names

3-Piperidinopropyl chloride hydrochlorideSCHEMBL41048piperidinopropylchloridehydrochlorideNSC-28334piperidinopropyl chloride hydrochloride3-piperidinopropylchloride hydrochloride1-(3-chloropropyl)piperidine HCl1-(3-chloropropyl)piperidine, hydrochloride

Database identifiers

CAS: 5472-49-1
PubChem CID: 79624
DTXSID: DTXSID70203187
ChEMBL: CHEMBL4516898
UNII: RTM9XY4MQQ
EC Number: 226-812-7

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 79.3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.