4-Aminophenazone-d3

CAT: 0024-sc-480348Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-480348Size:2.5 mg

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CAS Number

1329792-51-9

Chemical Information

4-Aminophenazone-d3

CAS Number	1329792-51-9
PubChem CID	71313332
IUPAC Name	4-amino-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one
Molecular Formula	C11H13N3O
Molecular Weight	206.26
XLogP	0.1
Topological Polar Surface Area	49.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	305

SMILES

[2H]C([2H])([2H])N1C(=C(C(=O)N1C2=CC=CC=C2)N)C

InChI

InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3/i2D3

InChIKey

RLFWWDJHLFCNIJ-BMSJAHLVSA-N

Chemical Structure

2D Structure

CAS: 1329792-51-9

CID: 71313332

Formula: C11H13N3O

MW: 206.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.26
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	206.124692285
Monoisotopic Mass	206.124692285
Topological Polar Surface Area	49.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	305
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-490764	4-Fluoroolanzapine-d3
sc-484385	4′-Methylphenazone-d3
sc-482532	4-Methylcyclohexanemethanol-d3
sc-216927	4-Methylbenzotriazole-d3
sc-499291	4-Fluoroephedrine-d3
sc-217060	4'-Hydroxyphenylcarvedilol-d3
sc-483736	4-Methylimidazole-d3
sc-256107	2-Butanone-4,4,4-d3
sc-473070	D-Threonine-4,4,4-d3
sc-209907-CW	4-Acetaminophen-d3 Sulfate

Catalog	Name
TRC-A621002-2.5MG	4-Aminophenazone-d3
TRC-A621000-5G	4-Aminophenazone
329319	Aminophenazone
H9110-19E	4’-Hydroxyphenylcarvedilol-d3 (M4-d3)
MBS6029143-01	4'-Hydroxyphenylcarvedilol-d3 (M4-d3)
HY-W742983	4-Fluoroephedrine-d3
HY-Y0869S-01	4-Methoxybenzylamine-d3
HY-W012814S-01	4-Methylcatechol-d3
HY-W012835S1-01	4-Methylanisole-d3
433155	4-Methylcyclohexanemethanol-d3