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377910

N⁴-Acetylcytosine

Name: <I>N</I><SUP>4</SUP>-Acetylcytosine
Brand: ALDRICH

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About This Item

Empirical Formula (Hill Notation):

C₆H₇N₃O₂

CAS Number:

14631-20-0

Molecular Weight:

153.14

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24863528

MDL number:

MFCD00134466

Beilstein/REAXYS Number:

138451

Assay:

99%

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Properties

Quality Segment

100

assay

99%

mp

>300 °C (lit.)

functional group

amide

SMILES string

CC(=O)NC1=NC(=O)NC=C1

InChI

1S/C6H7N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h2-3H,1H3,(H2,7,8,9,10,11)

InChI key

IJCKBIINTQEGLY-UHFFFAOYSA-N

Description

General description

Four stable conformers of N⁴-acetylcytosine, and the one of the stable form containing an intramoleuclar six-membered ring have been reported by theoretical calculations.The infrared and FT-Raman spectra of N⁴-acetylcytosine in the solid phase has been reported.

Application

N⁴-Acetylcytosine may be used in the preparation of cytidine. It may be used in the preparation of 1-(4-azido-4-deoxy-β-D-glucopyranosyl)cytosine.

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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