Ethyl nipecotate
Properties
- Molecular formula
- C8H15NO2
- Molar mass
- 157.21 g/mol
- Exact mass
- 157.1103 Da
- Density
- 1.0121 g/mL (at 20 °C)
- Melting point
- 165–167 °C
- Boiling point
- 102–104 °C (at 7 Torr)
- logP
- 0.55Crippen estimate
- Polar surface area
- 38.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation94.1% of notifiers
- H335 May cause respiratory irritation94.1% of notifiers
Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5006-62-2SMILES
CCOC(=O)C1CCCNC1InChIKey
XIWBSOUNZWSFKU-UHFFFAOYSA-NInChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 3-Piperidinecarboxylic acid, ethyl ester
- Nipecotic acid, ethyl ester
- 3-(Ethoxycarbonyl)piperidine
- Ethyl 3-piperidinecarboxylate
- (±)-3-Piperidinecarboxylic acid ethyl ester
- NSC 158451
Work with Ethyl nipecotate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-074 % similar
Methyl (3R)-3-piperidinecarboxylate164323-85-765 % similar
Methyl piperidine-3-carboxylate50585-89-265 % similar
Ethyl cyclobutanecarboxylate14924-53-965 % similar
Ethyl cyclohexanecarboxylate3289-28-963 % similar
(S)-3-Methyl piperidine carboxylate hydrochloride164323-84-659 % similar
Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-858 % similar
Ethyl cyclopropanecarboxylate4606-07-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.