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132945-78-9

132945-78-9 Structure

132945-78-9 Structure
IdentificationMore
[Name]

(S)-1-BOC-3-Cyanopyrrolidine
[CAS]

132945-78-9
[Synonyms]

N-T-BOC-3(S)-CYANOPYRROLIDINE
(S)-1-BOC-3-Cyanopyrrolidine
(S)-1-N-BOC-3-CYANO-PYRROLIDINE
(S)-1-N-(tert-Butoxycarbonyl)-3-cyanopyrrolidine
(S)-3-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(S)-TERT-BUTYL-3-CYANOPYRROLIDINE-1-CARBOXYLATE
[Molecular Formula]

C10H16N2O2
[MDL Number]

MFCD03419277
[Molecular Weight]

196.25
[MOL File]

132945-78-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

307.9±35.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

solid
[pka]

-3.73±0.40(Predicted)
[Appearance]

white solid
[Optical Rotation]

[α]/D +24.0±2.0°, c = 1 in methanol
[InChI]

1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m1/s1
[InChIKey]

VDDMCMFPUSCJNA-MRVPVSSYSA-N
[SMILES]

CC(C)(C)OC(=O)N1CC[C@@H](C1)C#N
[CAS DataBase Reference]

132945-78-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-1-BOC-3-Cyanopyrrolidine(132945-78-9)1HNMR
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