4-Hydroxyantipyrine Sulfate

CAT: 1596-AR-A04894-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A04894-01Size:10 Units

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CAS Number

81416-56-0

Synonyms

1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl hydrogen sulfate

Molecular Formula

C11H12N2O5S

Molecular Weight

284.3

API Name

Antipyrine

Chemical Information

1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl hydrogen sulfate

CAS Number	81416-56-0
PubChem CID	71420980
IUPAC Name	(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl) hydrogen sulfate
Molecular Formula	C11H12N2O5S
Molecular Weight	284.29
XLogP	-0.1
Topological Polar Surface Area	95.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	502

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)OS(=O)(=O)O

InChI

InChI=1S/C11H12N2O5S/c1-8-10(18-19(15,16)17)11(14)13(12(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,15,16,17)

InChIKey

CTEXUEWYEUYLCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81416-56-0

CID: 71420980

Formula: C11H12N2O5S

MW: 284.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.29
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	284.04669266
Monoisotopic Mass	284.04669266
Topological Polar Surface Area	95.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	502
Isotope Atom Count	0
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
AR-A02230-01	4-Sulfate Aminoantipyrine
AR-A04824-01	4-Methylaminoantipyrine Sulfate
AR-B06358-01	2,4-Diaminoanisole Sulfate
AR-R01402-01	Resveratrol-d4 4'-Sulfate
AR-E08918-01	DL-Norepinephrine 4-Sulfate
AR-C01542-01	4'-Hydroxyphenyl Carvedilol Sulfate
AR-V06392-01	Homovanillic Acid 4-Sulfate
AR-D07533-01	Dopamine 4-O-Sulfate
AR-Z00969-01	4'-Hydroxy Diclofenac Sulfate
AR-V06395-01	Vanillic Acid 4-Sulfate

Catalog	Name
TRC-S801850-500MG	4-Hydroxyantipyrine Sulfate
C5067-02	Chondroitin 4 Sulfate (Chondroitin-4-Sulfate)
sc-487562	4,4'-Diaminodiphenylamine Sulfate
B6051-5	4-ethylphenyl sulfate
CS-P-07206	4-Sulfate Aminoantipyrine
FD171768-01	4-Diazodiphenylamine sulfate
T85451-01	4-Aminodiphenylamine sulfate
GK4728-250g	4-Methylaminophenol sulfate
MBS5816827	EGCG-4"-sulfate
sc-485592	4-Chlorophenylhydrazine Sulfate