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Basic information
- CAS
301221-63-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(Br)C=O)CC1- InChIKey
PEMBPKBSSGOIRP-UHFFFAOYSA-N- Molecular formula
- C12H20BrNO3
- Average molar mass
- 306.2 g/mol
- Monoisotopic mass
- 305.0626556
Names & identifiers
- Preferred name
- tert-Butyl 4-(1-bromo-2-oxoethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(1-bromo-2-oxoethyl)piperidine-1-carboxylate
- English name
- tert-Butyl 4-(1-bromo-2-oxoethyl)piperidine-1-carboxylate
- Molecular formula
- C12H20BrNO3
- Molecular weight
- 306.2
Names & synonyms
301221-63-6TERT-BUTYL 4-(1-BROMO-2-OXOETHYL)PIPERIDINE-1-CARBOXYLATEDTXSID10619985RefChem:383452DTXCID60570739828-167-21-Boc-4-(1-bromo-2-oxo-ethyl)-piperidineSCHEMBL9502991-(t-butoxycarbonyl)-4-(1-bromo-2-oxoethyl)-piperidinePEMBPKBSSGOIRP-UHFFFAOYSA-NBMA22163AKOS015897756
Show more names
1-Piperidinecarboxylic acid, 4-(1-bromo-2-oxoethyl)-, 1,1-dimethylethyl ester
DB-068224EN300-64823351-(t-butoxycarbonyl)-4-(1-bromo-2-oxoethyl)piperidine1-(tert-butoxycarbonyl)4-(1-bromo-2-oxoethyl)piperidineZ1505706880tert-butyl 4-(1-bromo-2-oxoethyl)-1-piperidinecarboxylateTERT-BUTYL4-(1-BROMO-2-OXOETHYL)PIPERIDINE-1-CARBOXYLATE
Database identifiers
- CAS
301221-63-6- PubChem CID
- 21912701
- DTXSID
DTXSID10619985- EC Number
- 828-167-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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, 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 3 reports by companies from 2 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-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Related reactions
17 records
Compound notes
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