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25H-NBOH (hydrochloride)

CAT: 0804-HY-W722155-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W722155-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
25H-NBOH hydrochloride is a phenethylamine.
CAS Number
2595087-21-9
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
OC1=C(CNCCC2=CC(OC)=CC=C2OC)C=CC=C1.Cl
Molecular Formula
C17H22ClNO3
Molecular Weight
323.81
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

25H-NBOH (hydrochloride)
CAS Number2595087-21-9
PubChem CID137699944
IUPAC Name2-[[2-(2,5-dimethoxyphenyl)ethylamino]methyl]phenol;hydrochloride
Molecular FormulaC17H22ClNO3
Molecular Weight323.8
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity287
SMILES
COC1=CC(=C(C=C1)OC)CCNCC2=CC=CC=C2O.Cl
InChI
InChI=1S/C17H21NO3.ClH/c1-20-15-7-8-17(21-2)13(11-15)9-10-18-12-14-5-3-4-6-16(14)19;/h3-8,11,18-19H,9-10,12H2,1-2H3;1H
InChIKey
RGSDGLBGYMHFRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25H-NBOH (hydrochloride)
CAS: 2595087-21-9
CID: 137699944
Formula: C17H22ClNO3
MW: 323.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass323.1288213
Monoisotopic Mass323.1288213
Topological Polar Surface Area50.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity287
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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