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Compound Fr13776

CAT: 0013-GTR19269974-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269974-02Size:5 mg
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Description
Compound Fr13776, with CAS No. 154016-55-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13776 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
154016-55-4
Smiles
Cc1cc (CN) on1
Molecular Formula
C5H8N2O
Molecular Weight
112.1298
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3-Methylisoxazol-5-yl)methanamine
CAS Number154016-55-4
PubChem CID16481072
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methanamine
Molecular FormulaC5H8N2O
Molecular Weight112.13
XLogP-0.3
Topological Polar Surface Area52.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
CC1=NOC(=C1)CN
InChI
InChI=1S/C5H8N2O/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3
InChIKey
JKVMPILAJBLISV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Methylisoxazol-5-yl)methanamine
CAS: 154016-55-4
CID: 16481072
Formula: C5H8N2O
MW: 112.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.13
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass112.063662883
Monoisotopic Mass112.063662883
Topological Polar Surface Area52.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.8
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
GTR19269936-01Compound Fr13576
GTR19269970-01Compound Fr13746
GTR19269964-01Compound Fr13716
GTR19269840-01Compound Fr12776
GTR19269976-01Compound Fr13783
GTR19269975-01Compound Fr13780
GTR19269958-01Compound Fr13696
GTR19269921-01Compound Fr13416
GTR19269911-01Compound Fr13326
GTR19269900-01Compound Fr13279

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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