Basic information
- CAS
34286-16-3- Standard SMILES
CCOC(=O)C1C(=O)C2CCN1CC2- InChIKey
ZJSQPPLVZFFPOW-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- Ethyl 3-oxoquinuclidine-2-carboxylate
- IUPAC
- ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate
- English name
- 3-Oxo-2-quinuclidinecarboxylic acid ethyl ester
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
Ethyl 3-oxoquinuclidine-2-carboxylate34286-16-3ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate3-Oxo-2-quinuclidinecarboxylic acid ethyl esterMFCD000523711-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-oxo-, ethyl ester2-Ethoxycarbonyl-3-oxoquinuclidineCBDivE_003842CBDivE_0046822-Quinuclidinecarboxylic acid, 3-oxo-, ethyl esterSCHEMBL272720402-Carboethoxy-3-Ketoquinuclidine
Show more names
SolifecinImpurity83-Oxoquinone-2-carboxylic acid ethyl ester3-ketoquinuclidine-2-carboxylic acid ethyl esterethyl 8-oxo-1-azabicyclo[2.2.2]octane-7-carboxylate
DTXSID90329131ZJSQPPLVZFFPOW-UHFFFAOYSA-NEthyl 3-quinuclidone-2-carboxylateEthyl3-oxoquinuclidine-2-carboxylateEthyl 3-quinuclidinone-2-carboxylateSBB080694Ethyl 3-oxo-2-quinuclidinecarboxylateAKOS005267115
Database identifiers
- CAS
34286-16-3- PubChem CID
- 417650
- DTXSID
DTXSID90329131- EC Number
- 119-472-5
- Nikkaji
- J143.105F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 98 · 98-103 °C(Press: 0.02 Torr)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 16.31 · 16.31±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers33 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海眷开生物医药有限公司15052267297 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
广东胜克生化科技股份有限公司18925113981 18925113981 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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