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539015

tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

Name: tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
Brand: ALDRICH

97%

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About This Item

Empirical Formula (Hill Notation):

C₁₄H₂₃NO₄

CAS Number:

125971-94-0

Molecular Weight:

269.34

NACRES:

NA.22

PubChem Substance ID:

24878377

UNSPSC Code:

12352005

MDL number:

MFCD03093958

Assay:

97%

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Properties

Quality Segment

100

assay

97%

optical activity

[α]20/D −1.0°, c = 1 in chloroform

mp

65-69 °C (lit.)

functional group

ester, ether, ketal, nitrile

SMILES string

CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC(C)(C)O1

InChI

1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m1/s1

InChI key

DPNRMEJBKMQHMC-GHMZBOCLSA-N

Description

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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