Ethyl 1-benzylpiperidine-3-carboxylate
Basic information
- CAS
72551-53-2- Standard SMILES
CCOC(=O)C1CCCN(Cc2ccccc2)C1- InChIKey
CDMAVYOAEITWFQ-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- Ethyl 1-benzylpiperidine-3-carboxylate
- IUPAC
- ethyl 1-benzylpiperidine-3-carboxylate
- English name
- Ethyl 1-benzylpiperidine-3-carboxylate
- Molecular formula
- C15H21NO2
- Molecular weight
- 247.33
Names & synonyms
ethyl 1-benzylpiperidine-3-carboxylate72551-53-2MFCD00191221Ethyl1-benzylpiperidine-3-carboxylateethyl 1-benzyl-3-piperidinecarboxylate3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester1-benzylpiperidine-3-carboxylic acid ethyl ester1-Benzyl-piperidine-3-carboxylic acid ethyl esterChemDiv3_001347Oprea1_203182Oprea1_523029SCHEMBL1946258
Show more names
Ethyl1-benzylpiperidine-3-carboxylate98%1-Benzylpiperidine-3-carbonsSreethylesterEthyl 1-benzylpiperidine-3-carboxylate 98%Ethyl 1-(Phenylmethyl)-3-piperidinecarboxylate1-Benzyl-piperidine-3-carboxylic acid ethal ester
DTXSID50371313CDMAVYOAEITWFQ-UHFFFAOYSA-NHMS1476N05HMS5088M19SBB058948STK283924AKOS000547272AKOS016843127
Database identifiers
- CAS
72551-53-2- PubChem CID
- 2736370
- DTXSID
DTXSID50371313- Nikkaji
- J398.037E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 125 · 125-128°C 2mm
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- pka
- 7.98 · 7.98±0.10(Predicted)
- color
- Colourless
- CAS DataBase Reference
- 72551 · 72551-53-2(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS02
- Signal word
- Danger
- Hazard statements
- 314 · H314-H225-H290
- Precautionary statements
- 501 · P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS02
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H314-H225-H290
- Precautionary statements
- P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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