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Beta-Methylfentanyl Hydrochloride

CAT: 0572-TRC-M305375-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M305375-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443-43-2
Synonyms
Propanamide, N-phenyl-N-[1-(2-phenylpropyl)-4-piperidinyl]-, hydrochloride (1:1); Propionanilide, N-[1-(β-methylphenethyl)-4-piperidyl]-, hydrochloride (7CI); Propionanilide, N-[1-(β-methylphenethyl)-4-piperidyl]-, monohydrochloride (8CI); N-Phenyl-N-[1-(2-phenylpropyl)-4-piperidinyl]propanamide hydrochloride; N-Phenyl-N-[1-(2-phenylpropyl)piperidin-4-yl]propanamide hydrochloride; N-phenyl-N-[1-(2-phenylpropyl)-4-piperidinyl]-propanamide, monohydrochloride; β-methyl Fentanyl hydrochloride; β-methyl Fentanyl (hydrochloride)
Hazard Statement
Fatal in contact with skin; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCC(N(C1CCN(CC(C)C2=CC=CC=C2)CC1)C3=CC=CC=C3)=O.Cl
Molecular Formula
C23 H30 N2 O . H Cl
Molecular Weight
387
InChI
InChI=1S/C23H30N2O.ClH/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)18-19(2)20-10-6-4-7-11-20;/h4-13,19,22H,3,14-18H2,1-2H3;1H
Additionnal Information
IUPAC name: N-phenyl-N-[1-(2-phenylpropyl)-4-piperidinyl]-propanamide, monohydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

beta-Methylfentanyl hydrochloride
CAS Number1443-43-2
PubChem CID119057563
IUPAC NameN-phenyl-N-[1-(2-phenylpropyl)piperidin-4-yl]propanamide;hydrochloride
Molecular FormulaC23H31ClN2O
Molecular Weight387.0
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity418
SMILES
CCC(=O)N(C1CCN(CC1)CC(C)C2=CC=CC=C2)C3=CC=CC=C3.Cl
InChI
InChI=1S/C23H30N2O.ClH/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)18-19(2)20-10-6-4-7-11-20;/h4-13,19,22H,3,14-18H2,1-2H3;1H
InChIKey
DKDQQGZTMTWZML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-Methylfentanyl hydrochloride
CAS: 1443-43-2
CID: 119057563
Formula: C23H31ClN2O
MW: 387.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass386.2124913
Monoisotopic Mass386.2124913
Topological Polar Surface Area23.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity418
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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