ethyl (3S)-1-methylpiperidine-3-carboxylate
Basic information
- CAS
1568154-06-2- Standard SMILES
CCOC(=O)[C@H]1CCCN(C)C1- InChIKey
VFJJNMLPRDRTCO-QMMMGPOBSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Overview
ethyl (3S)-1-methylpiperidine-3-carboxylate has been reported in Areca catechu with data available.
Names & identifiers
- Preferred name
- ethyl (3S)-1-methylpiperidine-3-carboxylate
- IUPAC
- ethyl (3S)-1-methylpiperidine-3-carboxylate
- English name
- (S)-ethyl 1-methylpiperidine-3-carboxylate
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
ethyl (3S)-1-methylpiperidine-3-carboxylate1568154-06-2RefChem:593102997-670-8(S)-ethyl 1-methylpiperidine-3-carboxylateSCHEMBL12310224AKOS019910088ethyl(3S)-1-methylpiperidine-3-carboxylateEN300-395622G521673-Piperidinecarboxylic acid, 1-methyl-, ethyl ester, (3S)-
Database identifiers
- CAS
1568154-06-2- PubChem CID
- 736035
- EC Number
- 997-670-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 211.1 · 211.1±33.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.10(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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