Basic information
- CAS
1033819-08-7- Standard SMILES
CCCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
WBXKEXVOPZJMPT-UHFFFAOYSA-N- Molecular formula
- C14H25NO3
- Average molar mass
- 255.35 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-formyl-4-propylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-formyl-4-propylpiperidine-1-carboxylate
- English name
- tert-butyl 4-formyl-4-propylpiperidinecarboxylate
- Molecular formula
- C14H25NO3
- Molecular weight
- 255.35
Names & synonyms
tert-butyl 4-formyl-4-propylpiperidine-1-carboxylate1033819-08-7RefChem:894041970-375-1Tert-butyl 4-formyl-4-propylpiperidinecarboxylateSCHEMBL414000WBXKEXVOPZJMPT-UHFFFAOYSA-NIRB81908DA-48245EN300-212112tert-butyl4-formyl-4-propylpiperidine-1-carboxylateZ1508722596
Show more names
1,1-Dimethylethyl 4-formyl-4-propyl-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-formyl-4-propyl-, 1,1-dimethylethyl ester
4-formyl-4-propyl-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- CAS
1033819-08-7- PubChem CID
- 58017246
- EC Number
- 970-375-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 333.4 · 333.4±35.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- -2.1 · -2.10±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
8 records
Compound notes
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