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2212021-80-0

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2212021-80-0 Structure

2212021-80-0 Structure
IdentificationBack Directory
[Name]

1H-Indole-2-carboxamide, 1-(cyanomethyl)-N-methyl-N-phenyl-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-
[CAS]

2212021-80-0
[Synonyms]

1H-Indole-2-carboxamide, 1-(cyanomethyl)-N-methyl-N-phenyl-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-
[Molecular Formula]

C25H27N3O2
[MOL File]

2212021-80-0.mol
[Molecular Weight]

401.5
Chemical PropertiesBack Directory
[Boiling point ]

604.1±55.0 °C(Predicted)
[density ]

1.16±0.1 g/cm3(Predicted)
[pka]

0.45±0.50(Predicted)
[InChI]

InChI=1S/C25H27N3O2/c1-25(2)17-19(11-14-30-25)18-9-10-22-20(15-18)16-23(28(22)13-12-26)24(29)27(3)21-7-5-4-6-8-21/h4-10,15-16,19H,11,13-14,17H2,1-3H3/t19-/m0/s1
[InChIKey]

XWHYJFBCSSJIQV-IBGZPJMESA-N
[SMILES]

N1(CC#N)C2=C(C=C([C@H]3CCOC(C)(C)C3)C=C2)C=C1C(N(C)C1=CC=CC=C1)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
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