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U 11555A

CAT: 0931-T34975-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34975-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64-96-0
Target
Others
Related Pathways
Others
Bioactivity
U 11555A is a Hormone.
Smiles
Cl.O(C=1C=CC2=C(C1)CC(C=3C=CC=CC3)=C2C=4C=CC(OCCN(CC)CC)=CC4)C
Molecular Formula
C28H32ClNO2
Molecular Weight
450.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethanamine, N,N-diethyl-2-(4-(6-methoxy-2-phenyl-1H-inden-3-yl)phenoxy)-, hydrochloride (1:1)
CAS Number64-96-0
PubChem CID120161
IUPAC NameN,N-diethyl-2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine;hydrochloride
Molecular FormulaC28H32ClNO2
Molecular Weight450.0
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity570
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=C2C=CC(=C3)OC)C4=CC=CC=C4.Cl
InChI
InChI=1S/C28H31NO2.ClH/c1-4-29(5-2)17-18-31-24-13-11-22(12-14-24)28-26-16-15-25(30-3)19-23(26)20-27(28)21-9-7-6-8-10-21;/h6-16,19H,4-5,17-18,20H2,1-3H3;1H
InChIKey
REUSRIYEEARJHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanamine, N,N-diethyl-2-(4-(6-methoxy-2-phenyl-1H-inden-3-yl)phenoxy)-, hydrochloride (1:1)
CAS: 64-96-0
CID: 120161
Formula: C28H32ClNO2
MW: 450.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass449.2121570
Monoisotopic Mass449.2121570
Topological Polar Surface Area21.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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