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25B-NB4OMe (hydrochloride)

CAT: 0804-HY-172068-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-172068-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
25B-NB4OMe hydrochloride is structurally categorized as a phenethylamine.
CAS Number
1566571-56-9
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Field of Research
Neurological Disease
Smiles
BrC1=C(OC)C=C(CCNCC2=CC=C(C=C2)OC)C(OC)=C1.Cl
Molecular Formula
C18H23BrClNO3
Molecular Weight
416.74
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

25B-NB4OMe (hydrochloride)
CAS Number1566571-56-9
PubChem CID137699639
IUPAC Name2-(4-bromo-2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine;hydrochloride
Molecular FormulaC18H23BrClNO3
Molecular Weight416.7
Topological Polar Surface Area39.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity323
SMILES
COC1=CC=C(C=C1)CNCCC2=CC(=C(C=C2OC)Br)OC.Cl
InChI
InChI=1S/C18H22BrNO3.ClH/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
InChIKey
NSOWPQJRJBOZQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25B-NB4OMe (hydrochloride)
CAS: 1566571-56-9
CID: 137699639
Formula: C18H23BrClNO3
MW: 416.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass415.05498
Monoisotopic Mass415.05498
Topological Polar Surface Area39.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity323
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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