1-Piperidinepropanoic acid, ethyl ester
Basic information
- CAS
19653-33-9- Standard SMILES
CCOC(=O)CCN1CCCCC1- InChIKey
MPAWVDTVWPPKJQ-UHFFFAOYSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- 1-Piperidinepropanoic acid, ethyl ester
- IUPAC
- ethyl 3-piperidin-1-ylpropanoate
- English name
- 1-PIPERIDINEPROPIONIC ACID ETHYL ESTER
- Molecular formula
- C10H19NO2
- Molecular weight
- 185.26
Names & synonyms
19653-33-91-Piperidinepropanoic acid, ethyl esterethyl 3-piperidin-1-ylpropanoate1-Piperidinepropionic acid, ethyl esterEthyl piperidine-1-propionateEthyl 1-piperidinepropanoateEINECS 243-205-2NSC 75594DTXSID7066512RefChem:435846DTXCID0036134243-205-2
Show more names
AKOS BB-8699Ethyl 3-piperidinopropionateEthyl 3-piperidinepropionateETHYL 3-(1-PIPERIDINO)PROPIONATEEthyl 3-piperidin-1-ylpropionate
InChI=1/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1Hethyl 3-(piperidin-1-yl)propanoateEthyl 1-piperidinepropionate1-Piperidinepropionic Acid Ethyl EsterMFCD00006514Ethyl 3-(1-piperidinyl)propionateY5948MTH7Rethyl 3-(1-piperidyl)propanoate
Database identifiers
- CAS
19653-33-9- PubChem CID
- 88183
- DTXSID
DTXSID7066512- UNII
- Y5948MTH7R
- EC Number
- 243-205-2
- Nikkaji
- J28.235I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 108 · 108-110°C 12mm
- Density
- 0 · 0,97 g/cm3
- refractive index
- 1.453 to · 1.4530 to 1.4550
- Flash point
- 87 °C · 87°C
- pka
- 8.8 · 8.80±0.10(Predicted)
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- CAS DataBase Reference
- 19653 · 19653-33-9(CAS DataBase Reference)
- FDA UNII
- 5948 MTH7R · Y5948MTH7R
- EPA Substance Registry System
- 1 · 1-Piperidinepropanoic acid, ethyl ester (19653-33-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
- Precautionary statements
- 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Ethyl piperidine-1-propionate (EC: 243-205-2)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H227-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperidinepropanoic acid, ethyl ester: INACTIVE
Applications
UsesEthyl 3-piperidinepropionate is used in oxygenation reactions with gold nano particles.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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