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Basic information
- CAS
242459-44-5- Standard SMILES
CC(C)(C)OC(=O)N1CCCC[C@H]1C#N- InChIKey
LKAJZBMOVZIKHA-VIFPVBQESA-N- Molecular formula
- C11H18N2O2
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.13682782
Names & identifiers
- Preferred name
- tert-Butyl (2S)-2-cyanopiperidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-cyanopiperidine-1-carboxylate
- English name
- (S)-1-N-BOC-2-CYANO-PIPERIDINE
- Molecular formula
- C11H18N2O2
- Molecular weight
- 210.27
Names & synonyms
242459-44-5tert-Butyl (2S)-2-cyanopiperidine-1-carboxylateDTXSID00426584RefChem:382975DTXCID70377418(S)-1-N-Boc-2-Cyano-piperidine(S)-1-Boc-2-Cyanopiperidine(s)-tert-butyl 2-cyanopiperidine-1-carboxylateMFCD04115365tert-Butyl (S)-2-cyanopiperidine-1-carboxylate1-n-boc-2-(s)-cyano-piperidine(s)-2-cyano-piperidine-1-carboxylic acid tert-butyl ester
Show more names
(S)-N-TERT-BUTOXYCARBONYL-2-CYANOPIPERIDINE(2S)-2-Cyano-1-piperidinecarboxylic acid tert-butyl ester1-Piperidinecarboxylicacid, 2-cyano-, 1,1-dimethylethyl este...
(s)-n-boc-2-cyanopiperidineN-Boc-2-piperidinecarbonitrile(s)-1-n-boc-2-cyanopiperidine1-piperidinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester, (2s)-SCHEMBL19055875LKAJZBMOVZIKHA-VIFPVBQESA-NAKOS007930630AKOS015897917
Database identifiers
- CAS
242459-44-5- PubChem CID
- 7009902
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 89 · 89-91 °C
- Boiling point
- 325.3 · 325.3±35.0 °C(Predicted)
- Density
- 1.07 · 1.07
- storage temp.
- 2 · 2-8°C
- pka
- -4.85 · -4.85±0.40(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers30 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西鼎创美捷化工有限公司15209235325; 15209235325 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
上海伟聂化工科技有限公司15902145085 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
1 records
Compound notes
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