Trihexyphenidyl Impurity F

CAT: 1299-RM-T081106-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T081106-01Size:10 mg

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CAS Number

67562-42-9

Synonyms

(E) -1- (3-cyclohexyl-3-phenylallyl) piperidine

Molecular Formula

C20H29N

Molecular Weight

283.45

Target Alternative Name

Trihexyphenidyl

Product Name Synonym

(E) -1- (3-cyclohexyl-3-phenylallyl) piperidine

Chemical Information

Trihexyphenidyl Impurity F

CAS Number	67562-42-9
PubChem CID	169438162
IUPAC Name	1-[(E)-3-cyclohexyl-3-phenylprop-2-enyl]piperidine
Molecular Formula	C20H29N
Molecular Weight	283.5
XLogP	6
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	315

SMILES

C1CCC(CC1)/C(=C\CN2CCCCC2)/C3=CC=CC=C3

InChI

InChI=1S/C20H29N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,14,19H,2-3,6-9,12-13,15-17H2/b20-14-

InChIKey

RPZKNVUFKARNNW-ZHZULCJRSA-N

Chemical Structure

2D Structure

CAS: 67562-42-9

CID: 169438162

Formula: C20H29N

MW: 283.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.5
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	283.229999929
Monoisotopic Mass	283.229999929
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T081101-01	Trihexyphenidyl Impurity A
RM-T081109-01	Trihexyphenidyl Impurity 9
RM-T081105-01	Trihexyphenidyl Impurity 5
RM-T081107-01	Trihexyphenidyl Impurity 7
RM-T081110-01	Trihexyphenidyl Impurity 10
RM-T081108-01	Trihexyphenidyl Impurity 8
RM-T081102-01	Trihexyphenidyl EP Impurity A
RM-T081115-01	Trihexyphenidyl (Benzhexol) Impurity 15
RM-T081113-01	Trihexyphenidyl (Benzhexol) Impurity 13
RM-T081112-01	Trihexyphenidyl (Benzhexol) Impurity 12

Catalog	Name
CS-ED-00205	Trihexyphenidyl Impurity A
CS-T-40121	Trihexyphenidyl EP Impurity A
HY-B1277A	Trihexyphenidyl
B6130-5.1	Trihexyphenidyl hydrochloride
HY-B1277-01	Trihexyphenidyl (hydrochloride)
HY-B1277AS-01	Trihexyphenidyl-d5
HY-B1277S-01	Trihexyphenidyl-d5 (hydrochloride)
GTR19175651-01	DL-trihexyphenidyl hydrochloride
MBS576171	DL-trihexyphenidyl HCl
HY-B1277R-01	Trihexyphenidyl (hydrochloride) (Standard)