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p-Chlorofentanyl Hydrochloride

CAT: 0572-TRC-C381015-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C381015-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117994-27-1
Synonyms
Propanamide, N-(4-chlorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-, hydrochloride (1:1); Propanamide, N-(4-chlorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-, monohydrochloride (9CI); para-Chlorofentanyl hydrochloride; p-Chlorofentanyl hydrochloride; 4-Chlorofentanyl hydrochloride
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Smiles
Cl.CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccc(Cl)cc3
Molecular Formula
C22 H27 Cl N2 O . Cl H
Molecular Weight
407.38
InChI
InChI=1S/C22H27ClN2O.ClH/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18;/h3-11,21H,2,12-17H2,1H3;1H
Additionnal Information
IUPAC name: N-(4-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

p-Chlorofentanyl hydrochloride
CAS Number117994-27-1
PubChem CID137699904
IUPAC NameN-(4-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;hydrochloride
Molecular FormulaC22H28Cl2N2O
Molecular Weight407.4
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity422
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C22H27ClN2O.ClH/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18;/h3-11,21H,2,12-17H2,1H3;1H
InChIKey
NWLNPLDZEOKFCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Chlorofentanyl hydrochloride
CAS: 117994-27-1
CID: 137699904
Formula: C22H28Cl2N2O
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass406.1578689
Monoisotopic Mass406.1578689
Topological Polar Surface Area23.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity422
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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