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beta-Hydroxy Fentanyl Hydrochloride

CAT: 0572-TRC-H942400-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942400-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1473-95-6
Synonyms
Propanamide, N-[1-(2-hydroxy-2-phenylethyl)-4-piperidinyl]-N-phenyl-, hydrochloride (1:1); Propanamide, N-[1-(2-hydroxy-2-phenylethyl)-4-piperidinyl]-N-phenyl-, monohydrochloride (9CI); Propionanilide, N-[1-(β-hydroxyphenethyl)-4-piperidyl]-, hydrochloride (7CI); Propionanilide, N-[1-(β-hydroxyphenethyl)-4-piperidyl]-, monohydrochloride (8CI); NIH 10506; R 4333; β-Hydroxyfentanyl Hydrochloride; β-hydroxy Fentanyl (hydrochloride)
Hazard Statement
Fatal in contact with skin; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
Cl.CCC(=O)N(C1CCN(CC(O)c2ccccc2)CC1)c3ccccc3
Molecular Formula
C22 H28 N2 O2 . Cl H
Molecular Weight
388.93
InChI
InChI=1S/C22H28N2O2.ClH/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18;/h3-12,20-21,25H,2,13-17H2,1H3;1H
Additionnal Information
IUPAC name: N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

beta-Hydroxyfentanyl hydrochloride
CAS Number1473-95-6
PubChem CID60196321
IUPAC NameN-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
Molecular FormulaC22H29ClN2O2
Molecular Weight388.9
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity422
SMILES
CCC(=O)N(C1CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3.Cl
InChI
InChI=1S/C22H28N2O2.ClH/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18;/h3-12,20-21,25H,2,13-17H2,1H3;1H
InChIKey
NTUISTSMMNDSGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-Hydroxyfentanyl hydrochloride
CAS: 1473-95-6
CID: 60196321
Formula: C22H29ClN2O2
MW: 388.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass388.1917559
Monoisotopic Mass388.1917559
Topological Polar Surface Area43.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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