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25C-NB3OMe (hydrochloride)

CAT: 0804-HY-168412-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-168412-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
25C-NB3OMe hydrochloride is structurally categorized as a phenethylamine.
CAS Number
1566571-57-0
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Field of Research
Neurological Disease
Smiles
ClC1=C(OC)C=C(CCNCC2=CC(OC)=CC=C2)C(OC)=C1.Cl
Molecular Formula
C18H23Cl2NO3
Molecular Weight
372.29
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Chloro-2,5-dimethoxy-N-((3-methoxyphenyl)methyl)-benzeneethanamine hydrochloride
CAS Number1566571-57-0
PubChem CID118796501
IUPAC Name2-(4-chloro-2,5-dimethoxyphenyl)-N-[(3-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(=C1)CNCCC2=CC(=C(C=C2OC)Cl)OC.Cl
InChI
InChI=1S/C18H22ClNO3.ClH/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2;/h4-6,9-11,20H,7-8,12H2,1-3H3;1H
InChIKey
AIQLGZXDXDMPNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2,5-dimethoxy-N-((3-methoxyphenyl)methyl)-benzeneethanamine hydrochloride
CAS: 1566571-57-0
CID: 118796501
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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T204576-0125C-NBF hydrochloride
GTR19250104-0125C-NBOH hydrochloride
PLC26619-0125C-NBOMe hydrochloride solution
2236000CryoCarrier 25C
207433-01Undecylprodigiosin (Undecylprodiginine, Prodigiosin 25C)
RS12410Redox Std 124mV at 25C
RS300Redox Std 300mV at 25C
RS200-01Redox Std 200mV at 25C
RS65010Redox Std 650mV at 25C
RS35810Redox Std 358mV at 25C

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