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2C-C-NBOMe Hydrochloride

CAT: 0572-TRC-C025000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C025000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1539266-19-7
Synonyms
4-Chloro-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzeneethanamine Hydrochloride; 2-(4-Chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine Hydrochloride; Benzeneethanamine, 4-chloro-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-, hydrochloride; 25C-NBOMe HCl
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
Cl.COc1ccccc1CNCCc2cc(OC)c(Cl)cc2OC
Molecular Formula
C18 H22 Cl N O3 . Cl H
Molecular Weight
372.29
InChI
InChI=1S/C18H22ClNO3.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-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

25C-NBOMe hydrochloride
CAS Number1539266-19-7
PubChem CID71650599
IUPAC Name2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.3
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)Cl)OC.Cl
InChI
InChI=1S/C18H22ClNO3.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
PMTKNKZAOWWYGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25C-NBOMe hydrochloride
CAS: 1539266-19-7
CID: 71650599
Formula: C18H23Cl2NO3
MW: 372.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass371.1054990
Monoisotopic Mass371.1054990
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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