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25T2-NBOMe hydrochloride

CAT: 0013-GTR19252940-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252940-01Size:50 mg
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Description
25T2-NBOMe hydrochloride is a compound classified as a phenethylamine.
CAS Number
1539266-51-7
Smiles
Cl.O (C=1C=CC=CC1CNCCC=2C=C (OC) C (SCC) =CC2OC) C
Molecular Formula
C20H28ClNO3S
Molecular Weight
397.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

25T2-NBOMe (hydrochloride)
CAS Number1539266-51-7
PubChem CID137699858
IUPAC Name2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
Molecular FormulaC20H28ClNO3S
Molecular Weight398.0
Topological Polar Surface Area65
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity358
SMILES
CCSC1=C(C=C(C(=C1)OC)CCNCC2=CC=CC=C2OC)OC.Cl
InChI
InChI=1S/C20H27NO3S.ClH/c1-5-25-20-13-18(23-3)15(12-19(20)24-4)10-11-21-14-16-8-6-7-9-17(16)22-2;/h6-9,12-13,21H,5,10-11,14H2,1-4H3;1H
InChIKey
OXWBOYFWLKCGEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25T2-NBOMe (hydrochloride)
CAS: 1539266-51-7
CID: 137699858
Formula: C20H28ClNO3S
MW: 398.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass397.1478426
Monoisotopic Mass397.1478426
Topological Polar Surface Area65 Ų
Heavy Atom Count26
Formal Charge0
Complexity358
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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