Basic information
- CAS
856900-26-0- Standard SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C#N)C2- InChIKey
UVURMTGIVKSLEM-UHFFFAOYSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- tert-Butyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
- IUPAC
- tert-butyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
- English name
- N-Boc-3-Cyano-8-azabicyclo[3.2.1]octane
- Molecular formula
- C13H20N2O2
- Molecular weight
- 236.31
Names & synonyms
856900-26-0tert-Butyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylateN-Boc-3-Cyano-8-azabicyclo[3.2.1]octaneMFCD237036153-Cyano-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl estertert-Butyl 3-cyano-8-azabicyclo-[3.2.1]octane-8-carboxylate8-Boc-3-cyano-8-azabicyclo[3.2.1]octane8-Boc-8-azabicyclo[3.2.1]octane-3-carbonitrileSCHEMBL796116tert-butyl (1R,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylateDTXSID60705327UVURMTGIVKSLEM-UHFFFAOYSA-N
Show more names
tert-butyl(1R,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
tert-Butyl3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate3-Cyano-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl esterAKOS016011148PB21576SB39070AS-37156SY241395DB-371422
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 359.4 · 359.4±35.0 °C(Predicted)
- Density
- 1.11 · 1.11
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.48 · -2.48±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-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
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
7 records
Compound notes
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