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Cytosine-5,6-d2

CAT: 0572-TRC-C998951-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C998951-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106391-24-6
Synonyms
2(1H)-Pyrimidinone-4,5-d2, 6-amino- (9CI); Cytosine-d2; Cytosine-5,6-D2; 4-Aminopyrimidin-2(1H)-one-5,6-d2
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[2H]C1=C([2H])C(=NC(=O)N1)N
Molecular Formula
C4 2H2 H3 N3 O
Molecular Weight
113.11
InChI
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)/i1D,2D
Additionnal Information
IUPAC name: 4-amino-5,6-dideuterio-1H-pyrimidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Cytosine-d2

See also: Cytosine (annotation moved to); 6-Amino(~15~N_2_)pyrimidin-2(1H)-one (annotation moved to).

CAS Number106391-24-6
PubChem CID136862895
IUPAC Name6-amino-4,5-dideuterio-1H-pyrimidin-2-one
Molecular FormulaC4H5N3O
Molecular Weight113.11
XLogP-1.7
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity170
SMILES
[2H]C1=C(NC(=O)N=C1[2H])N
InChI
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)/i1D,2D
InChIKey
OPTASPLRGRRNAP-QDNHWIQGSA-N
Chemical Structure
2D Structure
2D structure of Cytosine-d2
CAS: 106391-24-6
CID: 136862895
Formula: C4H5N3O
MW: 113.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.11
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.055815283
Monoisotopic Mass113.055815283
Topological Polar Surface Area67.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity170
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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