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Compound Fr13965

CAT: 0013-GTR19270015-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270015-01Size:5 mg
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Description
Compound Fr13965, with CAS No. 5434-30-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13965 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.
CAS Number
5434-30-0
Smiles
CC (=O) NC1=CC (N) =CC=C1C
Molecular Formula
C9H12N2O
Molecular Weight
164.208
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Acetylamino-4-aminotoluene
CAS Number5434-30-0
PubChem CID79492
IUPAC NameN-(5-amino-2-methylphenyl)acetamide
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP0.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
CC1=C(C=C(C=C1)N)NC(=O)C
InChI
InChI=1S/C9H12N2O/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
UAZGSMMESOKKQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetylamino-4-aminotoluene
CAS: 5434-30-0
CID: 79492
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
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
GTR19270012-01Compound Fr13955
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GTR19269947-01Compound Fr13663
GTR19269884-01Compound Fr13155
GTR19269878-01Compound Fr13125
GTR19269876-01Compound Fr13095
GTR19269863-01Compound Fr12964
GTR19270006-01Compound Fr13922
GTR19269973-01Compound Fr13769

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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