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NBOH-2C-CN hydrochloride

CAT: 0013-GTR19201075Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201075Size:10 mg
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Description
This small molecule is a selective agonist for the serotonin 2A receptor (5-HT2A) . It is a valuable research tool for investigating receptor function and signaling pathways in both in vitro cellular assays and in vivo neuropharmacology studies.
CAS Number
1539266-32-4
Smiles
Cl.N#CC=1C=C (OC) C (=CC1OC) CCNCC=2C=CC=CC2O
Molecular Formula
C18H21ClN2O3
Molecular Weight
348.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NBOH-2C-CN hydrochloride

4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile.HCl is a hydrochloride resulting from the reaction of equimolar amounts of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile and hydrogen chloride. It has a role as a 5-hydroxytryptamine 2A receptor agonist. It contains a 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile(1+).

CAS Number1539266-32-4
PubChem CID90489019
IUPAC Name4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxybenzonitrile;hydrochloride
Molecular FormulaC18H21ClN2O3
Molecular Weight348.8
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity395
SMILES
COC1=CC(=C(C=C1CCNCC2=CC=CC=C2O)OC)C#N.Cl
InChI
InChI=1S/C18H20N2O3.ClH/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21;/h3-6,9-10,20-21H,7-8,12H2,1-2H3;1H
InChIKey
JQVAEIIIMVMJBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NBOH-2C-CN hydrochloride
CAS: 1539266-32-4
CID: 90489019
Formula: C18H21ClN2O3
MW: 348.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass348.1240702
Monoisotopic Mass348.1240702
Topological Polar Surface Area74.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity395
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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