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443050

Sigma-Aldrich

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile

97%

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About This Item

Linear Formula:
(CH3)3COCONHCH2CN
CAS Number:
85363-04-8
Molecular Weight:
156.18
MDL number:
MFCD00239390
UNSPSC Code:
12352100
PubChem Substance ID:
24868044
NACRES:
NA.22

assay

97%

form

solid

bp

186 °C (lit.)

mp

53-57 °C (lit.)

functional group

amine
nitrile

SMILES string

CC(C)(C)OC(=O)NCC#N

InChI

1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)

InChI key

SMZKPZXYDDZDJG-UHFFFAOYSA-N

General description

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile is an organic building block.

Application

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile may be used for the preparation of N-(tert-butoxycarbonyl)-2-aminoacetamidoxime, by reaction with hydroxylamine hydrochloride.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ1868
MKBH8157V
MKBC2504
MKBB1408
01016EH

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A convenient large scale synthesis of N-Boc-ethylenediamine.
Ravikumar VT.
Synthetic Communications, 24(12), 1767-1772 (1994)
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Clutterbuck LA, et al.
Journal of Medicinal Chemistry, 52(9), 2694-2707 (2009)

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