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764650-97-7

764650-97-7 Structure

764650-97-7 Structure
IdentificationBack Directory
[Name]

(2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide
[CAS]

764650-97-7
[Synonyms]

(2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide
(2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide 97%
(2S)-3,3-dimethyl-2-({[(1R,2R)-2-(2-methyl-5-pheny l-1H-pyrrol-1-yl)cyclohexyl]carbamothioyl}amino)- N,N-bis(2-methylpropyl)butanamide
(2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide
Butanamide, 3,3-dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)-, (2S)-
[Molecular Formula]

C32H50N4OS
[MDL Number]

MFCD10567032
[MOL File]

764650-97-7.mol
[Molecular Weight]

538.83
Chemical PropertiesBack Directory
[Melting point ]

143-147 °C
[Boiling point ]

641.9±65.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[form ]

powder
[pka]

12.74±0.40(Predicted)
[Optical Rotation]

[α]22/D -3°, c = 1 in chloroform
[InChIKey]

RIAIKFUBJYQDBD-CRXYYGHGSA-N
[SMILES]

CC(C)CN(CC(C)C)C(=O)[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1n2c(C)ccc2-c3ccccc3)C(C)(C)C
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Catalyst for acyl-Pictet-Spengler and acyl-Mannich reactions.
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