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Compound Fr12366

CAT: 0931-Fr12366-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12366-01Size:100 mg
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CAS Number
28170-41-4
Bioactivity
Compound Fr12366, with CAS No. 28170-41-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12366 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CN(C)C(=O)Nc1cccc(C)c1
Molecular Formula
C10H14N2O
Molecular Weight
178.235
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,1-Dimethyl-3-(3-methylphenyl)urea
CAS Number28170-41-4
PubChem CID123428
IUPAC Name1,1-dimethyl-3-(3-methylphenyl)urea
Molecular FormulaC10H14N2O
Molecular Weight178.23
XLogP1.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity180
SMILES
CC1=CC(=CC=C1)NC(=O)N(C)C
InChI
InChI=1S/C10H14N2O/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
JUMFQCKSVYYQJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dimethyl-3-(3-methylphenyl)urea
CAS: 28170-41-4
CID: 123428
Formula: C10H14N2O
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass178.110613074
Monoisotopic Mass178.110613074
Topological Polar Surface Area32.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity180
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

Related Products

CatalogName
Fr13366-01Compound Fr13366
Fr12362-01Compound Fr12362
Fr12336-01Compound Fr12336
Fr12166-01Compound Fr12166
Fr12866-01Compound Fr12866
Fr12966-01Compound Fr12966
Fr12466-01Compound Fr12466
Fr12376-01Compound Fr12376
Fr12346-01Compound Fr12346
Fr12266-01Compound Fr12266

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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