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25B-NBOMe Hydrochloride

CAT: 0572-TRC-B683850-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B683850-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1539266-15-3
Synonyms
Benzeneethanamine, 4-bromo-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-, hydrochloride (1:1); 2-(4-Bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine Hydrochloride; 2-(4-Bromo-2,5-dimethoxyphenyl)-N-[(2-methoxybenzyl)]ethylamine hydrochloride; 25B-NBOMe HCl; 2C-B-NBOMe HCl
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
Cl.COc1ccccc1CNCCc2cc(OC)c(Br)cc2OC
Molecular Formula
C18 H22 Br N O3 . Cl H
Molecular Weight
416.74
InChI
InChI=1S/C18H22BrNO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
Additionnal Information
IUPAC name: 2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-(4-bromo-2,5-dimethoxyphenyl)-N-((2-methoxyphenyl)methyl)ethanamine;hydrochloride
CAS Number1539266-15-3
PubChem CID76965389
IUPAC Name2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-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
Complexity331
SMILES
COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Br)OC.Cl
InChI
InChI=1S/C18H22BrNO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
InChIKey
HUHVUTZPPOFALF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-bromo-2,5-dimethoxyphenyl)-N-((2-methoxyphenyl)methyl)ethanamine;hydrochloride
CAS: 1539266-15-3
CID: 76965389
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
Complexity331
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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