1-Piperidinecarboxylic acid, ethyl ester

HCID 21399

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5325-94-0
Standard SMILES: CCOC(=O)N1CCCCC1
InChIKey: YSPVHAUJXLGZHP-UHFFFAOYSA-N
Molecular formula: C8H15NO2
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.11027872

Names & identifiers

Preferred name: 1-Piperidinecarboxylic acid, ethyl ester
IUPAC: ethyl piperidine-1-carboxylate
English name: Ethyl 1-piperidinecarboxylate
Molecular formula: C8H15NO2
Molecular weight: 157.21

Names & synonyms

ethyl piperidine-1-carboxylateEthyl 1-piperidinecarboxylate1-PIPERIDINECARBOXYLIC ACID, ETHYL ESTERNSC 100911NSC 236BRN 0118408DTXSID902013625-20-02-00480 (Beilstein Handbook Reference)RefChem:77032DTXCID90123853625-971-3InChI=1/C8H15NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h2-7H2,1H

Show more names

pentamethyleneurethane1-EthoxycarbonylpiperidineN-(Ethoxycarbonyl)piperidine1-piperidinecarboxylicacid,ethylesterpiperidine-1-carboxylic acid ethyl ester

YSPVHAUJXLGZHP-UHFFFAOYSA-N5325-94-0N-CarbethoxypiperidinePentamethylene urethaneMFCD00047470ethyl piperidinecarboxylateNCIOpen2_001719NSC236

Database identifiers

CAS: 5325-94-0
PubChem CID: 21399
DTXSID: DTXSID90201362
EC Number: 625-971-3
Nikkaji: J50.652D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Physicochemical properties

Boiling point: 183 °C · 183 °C(lit.)
Density: 1.018 g/mL · 1.018 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.459(lit.)
Flash point: 187 °F · 187 °F
storage temp.: Sealed in dry,Room Temperature
pka: -1.28 · -1.28±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 6300000 · TM6300000
HS Code: 2933399990 · 2933399990

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
rtecs: TM6300000
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

UsesN-acylpiperidine derivative used in structure correlation studies with respect to mosquito repellent activity.

UsesN-acylpiperidine derivative,(Ethyl 1-piperidinecarboxylate) can be used in structure correlation studies with respect to mosquito repellent activity.