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BE 2254

CAT: 0931-T26759-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26759-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40077-13-2
Target
Others, Adrenergic Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
BE 2254 is an antagonist of central noradrenergic receptor.
Smiles
O=C1C=2C(CCC1CNCCC3=CC=C(O)C=C3)=CC=CC2
Molecular Formula
C19H21NO2
Molecular Weight
295.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BE 2254

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one is a member of tetralins.

CAS Number40077-13-2
PubChem CID34772
IUPAC Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
Molecular FormulaC19H21NO2
Molecular Weight295.4
XLogP3.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity362
SMILES
C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O
InChI
InChI=1S/C19H21NO2/c21-17-9-5-14(6-10-17)11-12-20-13-16-8-7-15-3-1-2-4-18(15)19(16)22/h1-6,9-10,16,20-21H,7-8,11-13H2
InChIKey
PZZOEXPDTYIBPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BE 2254
CAS: 40077-13-2
CID: 34772
Formula: C19H21NO2
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass295.157228913
Monoisotopic Mass295.157228913
Topological Polar Surface Area49.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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