Basic information
- CAS
869527-80-0- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1(C)C- InChIKey
BQWREAOXJRHDQX-UHFFFAOYSA-N- Molecular formula
- C11H21NO2
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.15722891
Names & identifiers
- Preferred name
- tert-Butyl 2,2-dimethylpyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate
- English name
- 1-Boc-2,2-diMethylpyrrolidine
- Molecular formula
- C11H21NO2
- Molecular weight
- 199.29
Names & synonyms
869527-80-0tert-Butyl 2,2-dimethylpyrrolidine-1-carboxylateDTXSID40724455RefChem:383119DTXCID306752001-Boc-2,2-dimethylpyrrolidineMFCD21105463SCHEMBL475482BQWREAOXJRHDQX-UHFFFAOYSA-NAKOS013101582AS-39306SY018516
Show more names
1-Pyrrolidinecarboxylic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
DB-311874CS-0210162F2103812,2-Dimethylpyrrolidine-1-carboxylic acid tert-butyl ester2-Methyl-2-propanyl 2,2-dimethyl-1-pyrrolidinecarboxylate
Database identifiers
- CAS
869527-80-0- PubChem CID
- 57366408
- DTXSID
DTXSID40724455
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 241.9 · 241.9±9.0 °C(Predicted)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.15 · -1.15±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers16 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海诺宝化工有限公司+86(0)21 60484900
Shanghai Witofly Chemical Co.,Ltd[email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
Related reactions
2 records
Compound notes
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