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Compound Fr14378

CAT: 0931-Fr14378-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14378-02Size:2 mg
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CAS Number
119-63-1
Bioactivity
Compound Fr14378, with CAS No. 119-63-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14378 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)C1=CC=C(N)C=C1
Molecular Formula
C9H12N2O
Molecular Weight
164.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-Aminophenyl)-N-methylacetamide
CAS Number119-63-1
PubChem CID67068
IUPAC NameN-(4-aminophenyl)-N-methylacetamide
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP0.3
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
CC(=O)N(C)C1=CC=C(C=C1)N
InChI
InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3
InChIKey
QFELUFGHFLYZEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Aminophenyl)-N-methylacetamide
CAS: 119-63-1
CID: 67068
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area46.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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
Fr14377-01Compound Fr14377
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Fr14374-01Compound Fr14374
Fr13478-01Compound Fr13478
Fr14318-01Compound Fr14318
Fr14278-01Compound Fr14278
Fr14373-01Compound Fr14373
Fr14371-01Compound Fr14371
Fr14398-01Compound Fr14398
Fr14387-01Compound Fr14387

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
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1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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