Basic information
- CAS
1509382-47-1- Standard SMILES
CC1CC(=O)CN(C(=O)OC(C)(C)C)C1- InChIKey
PIXOEWQIZRMJQU-UHFFFAOYSA-N- Molecular formula
- C11H19NO3
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.13649347
Names & identifiers
- Preferred name
- Tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate
- IUPAC
- tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate
- English name
- 1-Boc-5-methyl-3-piperidinone
- Molecular formula
- C11H19NO3
- Molecular weight
- 213.27
Names & synonyms
1509382-47-1Tert-butyl 3-methyl-5-oxopiperidine-1-carboxylateRefChem:893411823-192-51-Boc-5-methyl-3-piperidinoneMFCD11520579tert-butyl 3-methyl-5-oxo-piperidine-1-carboxylateSCHEMBL19837017AKOS023411895CS-12740EN300-261409(S)-1-Boc-5-methylpiperidin-3-one
Show more names
3-Methyl-5-oxo-piperidine-1-carboxylic acid tert-butyl estertert-butyl 3-methyl-5-oxo-piperidine-1-carboxylate - [B83115]1-Piperidinecarboxylic acid, 3-methyl-5-oxo-, 1,1-dimethylethyl ester
SY310666SY310667JKC38247SY224178DB-126844CS-0139406F621569
Database identifiers
- CAS
1509382-47-1- PubChem CID
- 83679911
- EC Number
- 823-192-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 298.8 · 298.8±33.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- -1.67 · -1.67±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
宁波苯康基石医药科技有限公司15990591583
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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