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Dioxoaminopyrine-d6

CAT: 0572-TRC-D486347-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D486347-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1330195-41-9
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N(C(=O)C(=O)N(N(C)C(=O)C)c1ccccc1)C([2H])([2H])[2H]
Molecular Formula
C13 D6 H11 N3 O3
Molecular Weight
269.329
InChI
InChI=1S/C13H17N3O3/c1-10(17)15(4)16(11-8-6-5-7-9-11)13(19)12(18)14(2)3/h5-9H,1-4H3/i2D3,3D3
Additionnal Information
IUPAC name: 2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N,N-bis(trideuteriomethyl)acetamide
Shipping Conditions
Room Temperature

Chemical Information

Dioxoaminopyrine-d6
CAS Number1330195-41-9
PubChem CID131667915
IUPAC Name2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N,N-bis(trideuteriomethyl)acetamide
Molecular FormulaC13H17N3O3
Molecular Weight269.33
XLogP0.9
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity362
SMILES
[2H]C([2H])([2H])N(C(=O)C(=O)N(C1=CC=CC=C1)N(C)C(=O)C)C([2H])([2H])[2H]
InChI
InChI=1S/C13H17N3O3/c1-10(17)15(4)16(11-8-6-5-7-9-11)13(19)12(18)14(2)3/h5-9H,1-4H3/i2D3,3D3
InChIKey
IRTZMJWVZQYURE-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Dioxoaminopyrine-d6
CAS: 1330195-41-9
CID: 131667915
Formula: C13H17N3O3
MW: 269.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.33
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass269.16465189
Monoisotopic Mass269.16465189
Topological Polar Surface Area60.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity362
Isotope Atom Count6
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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