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1146629-84-6

1146629-84-6 Structure

1146629-84-6 Structure
IdentificationBack Directory
[Name]

(R)-3-cyclopentyl-3-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile
[CAS]

1146629-84-6
[Synonyms]

Ruxolitinib Impurity I
(R)-3-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propaneni
(R)-3-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitri
(R)-3-cyclopentyl-3-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile
1H-Pyrazole-1-propanenitrile, b-cyclopentyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, (bR)-
1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (βR)-
(3R)-3-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanenitrile
(betaR)-beta-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile
[Molecular Formula]

C17H26BN3O2
[MDL Number]

MFCD16038968
[MOL File]

1146629-84-6.mol
[Molecular Weight]

315.22
Chemical PropertiesBack Directory
[Boiling point ]

471.8±25.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

1.71±0.10(Predicted)
[InChI]

InChI=1/C17H26BN3O2/c1-16(2)17(3,4)23-18(22-16)14-11-20-21(12-14)15(9-10-19)13-7-5-6-8-13/h11-13,15H,5-9H2,1-4H3/t15-/s3
[InChIKey]

LJZLJWDLFHJEOC-UJHUVDBMNA-N
[SMILES]

C(#N)C[C@H](C1CCCC1)N1C=C(B2OC(C)(C)C(C)(C)O2)C=N1 |&1:3,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-3-cyclopentyl-3-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile(1146629-84-6)1HNMR
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