Basic information
- CAS
1228537-69-6- Standard SMILES
CC1(C#N)CCN(C(=O)OC(C)(C)C)C1- InChIKey
IEDZZHAVRBUGQQ-UHFFFAOYSA-N- Molecular formula
- C11H18N2O2
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.13682782
Names & identifiers
- Preferred name
- Tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate
- English name
- tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate
- Molecular formula
- C11H18N2O2
- Molecular weight
- 210.27
Names & synonyms
1228537-69-6tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate1-BOC-3-CYANO-3-METHYLPYRROLIDINEMFCD26406713tert-Butyl 3-cyano-3-methyl-pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-cyano-3-methyl-, 1,1-dimethylethyl esterSCHEMBL2377946DTXSID50726985IEDZZHAVRBUGQQ-UHFFFAOYSA-NAKOS025290958SB116171-Boc-3-methylpyrrolidine-3-carbonitrile
Show more names
AS-36291SY098318DB-388366CS-0048304EN300-35739131-Boc-3-cyano-3-methylpyrrolidine - [C13547]F330800tert-butyl3-cyano-3-methylpyrrolidine-1-carboxylate
Database identifiers
- CAS
1228537-69-6- PubChem CID
- 57516600
- DTXSID
DTXSID50726985
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 310
Physicochemical properties
- Boiling point
- 310.2 · 310.2±35.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -3.69 · -3.69±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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers17 total
天津长江化学有限公司19129375004; 15321929114 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海平创化工科技有限公司15001988657 15802146997
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海会兴生物科技有限公司（安 徽稠环生物科技有限公司）18621295758; 18621295758 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Related reactions
4 records
Compound notes
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