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220598-45-8

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220598-45-8 Structure

220598-45-8 Structure
IdentificationBack Directory
[Name]

2-azabicyclo[2.1.1]hexane-2,4-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
[CAS]

220598-45-8
[Synonyms]

2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[2.1.1]HEXANE-4-CARBOXYLIC ACID
2-azabicyclo[2.1.1]hexane-2,4-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
[Molecular Formula]

C11H17NO4
[MOL File]

220598-45-8.mol
[Molecular Weight]

227.26
Chemical PropertiesBack Directory
[Boiling point ]

347.8±25.0 °C(Predicted)
[density ]

1.315±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

4.63±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-6-11(8(13)14)4-7(12)5-11/h7H,4-6H2,1-3H3,(H,13,14)
[InChIKey]

YAUYMBIICLFXOX-UHFFFAOYSA-N
[SMILES]

C12CC(C(O)=O)(C1)CN2C(OC(C)(C)C)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

2-azabicyclo[2.1.1]hexane-2,4-dicarboxylic acid, 2-(1,1-dimethylethyl) ester(220598-45-8)1HNMR
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