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1589565-36-5

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1589565-36-5 Structure

1589565-36-5 Structure
IdentificationBack Directory
[Name]

tert-butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate
[CAS]

1589565-36-5
[Synonyms]

(S)-2-(1-Boc-2-piperazinyl)acetonitrile
tert-butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate
tert-butyl (2S)-2-(cyanomethyl)piperazine-1-carboxylate
1-Piperazinecarboxylic acid, 2-(cyanomethyl)-, 1,1-dimethylethyl ester, (2S)-
[EINECS(EC#)]

200-001-8
[Molecular Formula]

C11H19N3O2
[MDL Number]

MFCD32263269
[MOL File]

1589565-36-5.mol
[Molecular Weight]

225.29
Chemical PropertiesBack Directory
[Boiling point ]

361.1±17.0 °C(Predicted)
[density ]

1.064±0.06 g/cm3(Predicted)
[pka]

7.70±0.40(Predicted)
[InChI]

InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)14-7-6-13-8-9(14)4-5-12/h9,13H,4,6-8H2,1-3H3/t9-/m0/s1
[InChIKey]

BTWCKQOWWVNXTC-VIFPVBQESA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCNC[C@@H]1CC#N
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
Hazard InformationBack Directory
[Chemical Properties]

off-white solid
[storage]

Keep in dark place,Sealed in dry,2-8°C
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate(1589565-36-5)1HNMR
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