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Compound Fr16751

CAT: 0931-Fr16751-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16751-02Size:100 mg
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CAS Number
3470-53-9
Bioactivity
Compound Fr16751, with CAS No. 3470-53-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16751 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
NC1=CC2=C(C=C1)C(=O)CCC2
Molecular Formula
C10H11NO
Molecular Weight
161.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Amino-1,2,3,4-tetrahydronaphthalen-1-one

6-Amino-1,2,3,4-tetrahydronaphthalen-1-one is a member of tetralins.

CAS Number3470-53-9
PubChem CID339537
IUPAC Name6-amino-3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC10H11NO
Molecular Weight161.20
XLogP1.3
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
C1CC2=C(C=CC(=C2)N)C(=O)C1
InChI
InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2
InChIKey
BEVVUJBVEXJGKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one
CAS: 3470-53-9
CID: 339537
Formula: C10H11NO
MW: 161.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.20
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.084063974
Monoisotopic Mass161.084063974
Topological Polar Surface Area43.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
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
Fr16752-01Compound Fr16752
Fr16701-01Compound Fr16701
Fr16731-01Compound Fr16731
Fr16757-01Compound Fr16757
Fr16755-01Compound Fr16755
Fr16754-01Compound Fr16754
Fr16715-01Compound Fr16715
Fr16753-01Compound Fr16753
Fr16721-01Compound Fr16721
Fr16756-01Compound Fr16756

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
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