Basic information
- CAS
406212-49-5- Standard SMILES
CC1(C=O)CCCN(C(=O)OC(C)(C)C)C1- InChIKey
GFIQXPZTOFYEMI-UHFFFAOYSA-N- Molecular formula
- C12H21NO3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.15214353
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3-formyl-3-methyl-1-piperidinecarboxylate
- IUPAC
- tert-butyl 3-formyl-3-methylpiperidine-1-carboxylate
- English name
- TERT-BUTYL 3-FORMYL-3-METHYLPIPERIDINE-1-CARBOXYLATE
- Molecular formula
- C12H21NO3
- Molecular weight
- 227.3
Names & synonyms
tert-Butyl 3-formyl-3-methylpiperidine-1-carboxylate406212-49-5DTXSID7011887971,1-Dimethylethyl 3-formyl-3-methyl-1-piperidinecarboxylateRefChem:410095DTXCID701620078862-752-3MFCD145823851-Piperidinecarboxylic acid, 3-formyl-3-methyl-, 1,1-dimethylethyl estertert-butyl 3-formyl-3-methyl-1-piperidinecarboxylateSCHEMBL2277218GFIQXPZTOFYEMI-UHFFFAOYSA-N
Show more names
1-Boc-3-formyl-3-methylpiperidineGRA212491-Boc-3-methylpiperidine-3-carbaldehydePS-17450SY458049DB-433160CS-0079077EN300-318048
Database identifiers
- CAS
406212-49-5- PubChem CID
- 22258917
- DTXSID
DTXSID701188797- EC Number
- 862-752-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 300.3 · 300.3±35.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- pka
- -2.25 · -2.25±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H412-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, P273, 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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H412-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
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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