CAS 64995-88-6 Ethyl 2-(piperidin-3-yl)acetate (HCID 2760464)

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Basic information

CAS: 64995-88-6
Standard SMILES: CCOC(=O)CC1CCCNC1
InChIKey: RJFIWCWTENIBKC-UHFFFAOYSA-N
Molecular formula: C9H17NO2
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.12592878

Names & identifiers

Preferred name: Ethyl 2-(piperidin-3-yl)acetate
IUPAC: ethyl 2-piperidin-3-ylacetate
English name: 2-(Piperidin-3-yl)-acetic acid ethyl ester
Molecular formula: C9H17NO2
Molecular weight: 171.24

Names & synonyms

ethyl 2-(piperidin-3-yl)acetateRefChem:594041639-318-564995-88-62-(Piperidin-3-yl)-acetic acid ethyl esterEthyl 2-(3-piperidyl)acetateethyl piperidin-3-ylacetate81290-45-12-(Piperidin-3-yl)acetic acid ethyl esterMFCD03412125Ethyl 2-(3-piperidinyl)acetatepiperidin-3-yl-acetic acid ethyl ester

Show more names

3-piperidine Acetate Ethyl Ester2-(Piperidin-3-yl)-acetic acid ethyl3-Piperidineacetic acid, ethyl ester

ethyl 2-piperidin-3-ylacetateethyl 3-piperidineacetateEthyl (piperidin-3-yl)acetateethyl 3-piperidinylacetateEthyl2-(3-Piperidyl)acetateethyl 2-[(3R)-piperidin-3-yl]acetate, AC1OG4XW, (R)-PIPERIDIN-3-YL-ACETIC ACID ETHYL ESTER, SureCN4523217, 188883-57-0, AB64884, (R)-ETHYL 2-(PIPERIDIN-3-YL)ACETATE3-(2-Ethoxy-2-oxoethyl)piperidine2-(Piperidin-3-yl)-acetic acid ethylester

Database identifiers

CAS: 64995-88-6
PubChem CID: 2760464
DTXSID: DTXSID80983549
EC Number: 639-318-5

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 90 °C · 90 °C(Solv: hexane (110-54-3); benzene (71-43-2)(4:1))
Boiling point: 53 · 53-56°C/0.08mm
Density: 1.0131 g/cm3 · 1.0131 g/cm3(Temp: 25 °C)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.03 · 10.03±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.