Benzyl 4-methylidenepiperidine-1-carboxylate
Basic information
- CAS
138163-12-9- Standard SMILES
C=C1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
FQLKVNIQHUASLU-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592878
Names & identifiers
- Preferred name
- Benzyl 4-methylidenepiperidine-1-carboxylate
- IUPAC
- benzyl 4-methylidenepiperidine-1-carboxylate
- English name
- 1-Cbz-4-methylene-piperidine
- Molecular formula
- C14H17NO2
- Molecular weight
- 231.29
Names & synonyms
138163-12-9BENZYL 4-METHYLIDENEPIPERIDINE-1-CARBOXYLATEDTXSID50573572RefChem:328513DTXCID70524344974-654-9benzyl 4-methylenepiperidine-1-carboxylate1-Cbz-4-methylene-piperidine1-Cbz-4-Methylenepiperidine1-PIPERIDINECARBOXYLIC ACID, 4-METHYLENE-, PHENYLMETHYL ESTERMFCD098346224-Methylene-piperidine-1-carboxylic acid benzyl ester
Show more names
N-CBZ-4-MethylenepiperidineN-Cbz-4-methylidenepiperidine1-Cbz-4-Methylenepiperidine - [M14292]Benzyl 4-methylene-1-piperidinecarboxylatePhenylmethyl 4-methylene-1-piperidinecarboxylate
Benzyl4-methylenepiperidine-1-carboxylate1-BENZYLOXYCARBONYL-4-METHYLENEPIPERIDINESCHEMBL2454574FQLKVNIQHUASLU-UHFFFAOYSA-NAKOS015969325PB14744AS-39040SY097146
Database identifiers
- CAS
138163-12-9- PubChem CID
- 15519136
- DTXSID
DTXSID50573572- EC Number
- 974-654-9
- Nikkaji
- J1.584.745J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 146 °C · 146 °C(Press: 1 Torr)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -1.46 · -1.46±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C14H17NO2/c1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13/h2-6H,1,7-11H2
- InChIKey
- FQLKVNIQHUASLU-UHFFFAOYSA-N
- SMILES
- N1(C(OCC2=CC=CC=C2)=O)CCC(=C)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
8 records
Compound notes
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