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About This Item
Empirical Formula (Hill Notation):
C6H7N3O2
CAS Number:
Molecular Weight:
153.14
Beilstein:
138451
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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
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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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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