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1126-09-6 molecular structure
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ethyl piperidine-4-carboxylate

ChemBase ID: 70317
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
N1CCC(CC1)C(=O)OCC
Canonical SMILES:
CCOC(=O)C1CCNCC1
InChI:
InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3
InChIKey:
RUJPPJYDHHAEEK-UHFFFAOYSA-N

Cite this record

CBID:70317 http://www.chembase.cn/molecule-70317.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl piperidine-4-carboxylate
IUPAC Traditional name
ethyl piperidine-4-carboxylate
Synonyms
Piperidin-4-carboxylic acid ethyl ester
Ethyl 4-piperidinecarboxylate
Ethyl isonipecotate
Ethyl piperidine-4-carboxylate
Ethyl isonipecotate
4-(Ethoxycarbonyl)piperidine
Ethyl piperidine-4-carboxylate 97%
Ethyl piperidine-4-carboxylate
H-DL-Inp-OEt
4-哌啶甲酸乙酯
异哌啶酸乙酯
哌啶-4-羧酸乙酯
CAS Number
1126-09-6
EC Number
214-416-7
MDL Number
MFCD00006003
Beilstein Number
118419
PubChem SID
162036040
24894508
PubChem CID
70770

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8098829  LogD (pH = 7.4) -1.8388063 
Log P 0.38293418  Molar Refractivity 42.593 cm3
Polarizability 17.03371 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
203-205°C expand Show data source
204 °C(lit.) expand Show data source
204°C expand Show data source
Flash Point
176 °F expand Show data source
80 °C expand Show data source
80°C expand Show data source
80°C(176°F) expand Show data source
Density
1.02 expand Show data source
1.02 g/mL at 25 °C(lit.) expand Show data source
1.021 expand Show data source
Refractive Index
1.4600 expand Show data source
n20/D 1.459(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C8H15NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E33505 external link
Packaging
25, 100 g in glass bottle
Application
Reactant for synthesis of:
• SMN protein modulators1
• β-aryl and β-amino-substituted aliphatic esters by rhodium catalyzed tandem double bond migration/conjugate addition2
• Nitroethylenediamines by nucleophilic ring opening of nitroimidazolidinone3
• RhoA inhibitors for cardiovascular disease therapy4
• Saccharin derived Mannich bases as antimicrobials and antioxidants5Reactant for one-pot reductive amination and Suzuki-Miyaura cross coupling of formyl aryl and heteroaryl MIDA boronates6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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