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6-Hydroxyindoramin Hydrochloride

CAT: 0572-TRC-H943470-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943470-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1797124-48-1
Hazard Statement
No Data Available
Smiles
Cl.Oc1ccc2c(CCN3CCC(CC3)NC(=O)c4ccccc4)c[nH]c2c1
Molecular Formula
C22 H25 N3 O2 . H Cl
Molecular Weight
399.914
InChI
InChI=1S/C22H25N3O2.ClH/c26-19-6-7-20-17(15-23-21(20)14-19)8-11-25-12-9-18(10-13-25)24-22(27)16-4-2-1-3-5-16;/h1-7,14-15,18,23,26H,8-13H2,(H,24,27);1H
Additionnal Information
IUPAC name: N-[1-[2-(6-hydroxy-1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

6-Hydroxyindoramin Hydrochloride
CAS Number1797124-48-1
PubChem CID169441895
IUPAC NameN-[1-[2-(6-hydroxy-1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide;hydrochloride
Molecular FormulaC22H26ClN3O2
Molecular Weight399.9
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity486
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=C3C=CC(=C4)O.Cl
InChI
InChI=1S/C22H25N3O2.ClH/c26-19-6-7-20-17(15-23-21(20)14-19)8-11-25-12-9-18(10-13-25)24-22(27)16-4-2-1-3-5-16;/h1-7,14-15,18,23,26H,8-13H2,(H,24,27);1H
InChIKey
IAEUXSQJVFNSQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxyindoramin Hydrochloride
CAS: 1797124-48-1
CID: 169441895
Formula: C22H26ClN3O2
MW: 399.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass399.1713548
Monoisotopic Mass399.1713548
Topological Polar Surface Area68.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity486
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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