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Dulcin

CAT: 0804-HY-W150251-03Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W150251-03Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dulcin is an artificial sweetener[1].
CAS Number
150-69-6
UNSPSC
12352005
Hazard Statement
H302
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dulcin.html
Purity
98.58
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CCOC1=CC=C(NC(N)=O)C=C1
Molecular Formula
C9H12N2O2
Molecular Weight
180.21
Precautions
H302
References & Citations
[1]Kang Ma, et al. Determining High-Intensity Sweeteners in White Spirits Using an Ultrahigh Performance Liquid Chromatograph with a Photo-Diode Array Detector and Charged Aerosol Detector. Molecules. 2020 Jan; 25 (1) : 40.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dulcin

Dulcin is a member of ureas.

CAS Number150-69-6
PubChem CID9013
IUPAC Name(4-ethoxyphenyl)urea
Molecular FormulaC9H12N2O2
Molecular Weight180.20
XLogP1
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
CCOC1=CC=C(C=C1)NC(=O)N
InChI
InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
InChIKey
GGLIEWRLXDLBBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dulcin
CAS: 150-69-6
CID: 9013
Formula: C9H12N2O2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass180.089877630
Monoisotopic Mass180.089877630
Topological Polar Surface Area64.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity165
Isotope Atom Count0
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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