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172695-22-6

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172695-22-6 Structure

172695-22-6 Structure
IdentificationBack Directory
[Name]

3-N-BOC-(S)-AMINO BUTYRONITRILE
[CAS]

172695-22-6
[Synonyms]

3-N-BOC-(S)-AMINO BUTYRONITRILE
(S)-tert-butyl 1-cyanopropan-2-ylcarbaMate
tert-butyl (S)-(1-cyanopropan-2-yl) carbamate
tert-butyl [(1S)-2-cyano-1-Methylethyl]carbaMate
Carbamic acid, N-[(1S)-2-cyano-1-methylethyl]-, 1,1-dimethylethyl ester
Carbamic acid, [(1S)-2-cyano-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)
[Molecular Formula]

C9H16N2O2
[MDL Number]

MFCD07779197
[MOL File]

172695-22-6.mol
[Molecular Weight]

184.24
Chemical PropertiesBack Directory
[Melting point ]

69-71 °C(Solv: dichloromethane (75-09-2))
[Boiling point ]

309.5±25.0 °C(Predicted)
[density ]

1.005±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

11.72±0.46(Predicted)
[InChI]

InChI=1S/C9H16N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5H2,1-4H3,(H,11,12)/t7-/m0/s1
[InChIKey]

DIUMTAGYVCAZRM-ZETCQYMHSA-N
[SMILES]

C(OC(C)(C)C)(=O)N[C@@H](C)CC#N
Hazard InformationBack Directory
[Uses]

(S)-tert-Butyl (1-Cyanopropan-2-yl)carbamate is an intermediate used to synthesize spermidine analogs of 15-deoxyspergualin with immunosuppressive activities.
Spectrum DetailBack Directory
[Spectrum Detail]

3-N-BOC-(S)-AMINO BUTYRONITRILE(172695-22-6)1HNMR
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