Basic information
- CAS
163513-98-2- Standard SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C(=O)C2- InChIKey
XWIJVOQGKJHEAJ-JGVFFNPUSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Names & identifiers
- Preferred name
- (1R,4S)-7-Boc-2-oxo-7-azabicyclo[2.2.1]heptane
- IUPAC
- tert-butyl (1R,4S)-2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
- English name
- (1R,4S)-tert-Butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
- Molecular formula
- C11H17NO3
- Molecular weight
- 211.26
Names & synonyms
163513-98-2(1R,4S)-7-Boc-2-oxo-7-azabicyclo[2.2.1]heptanetert-butyl (1R,4S)-2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate(1R,4S)-TERT-BUTYL 2-OXO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATEMFCD131522517-Azabicyclo[2.2.1]heptane-7-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester, (1R,4S)-(1R,4S)-7-Boc-7-azabicyclo[2.2.1]heptan-2-oneTert-butyl (1S,4R)-3-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylateSCHEMBL1445058DTXSID20437192AKOS015950944AS-30926
Show more names
(1R,4S)tert-butyl (1R,4S)-2-oxo-7-azabicyclo[2.2.1]heptane-7-carbox...
SY107851DB-344503CS-0054189P15440F2107767-Azabicyclo[2.2.1]heptane-7-carboxylic acid, 2-oxo-, 1,1-dimeth7-Azabicyclo[2.2.1]heptane-7-carboxylic acid,2-oxo-,1,1-dimethylethyl ester
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 305
Physicochemical properties
- Boiling point
- 308.2 · 308.2±25.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.82 · -1.82±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海寰川实业有限公司021-61478794 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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