Trihexylphenedyl

Description

Trihexylphenedyl · CAS 144-11-6 · C20H31NO. UNII 6RC5V8B7PO. Melting Point: 115; Melting Point: 114 °C; Melting Point: 258.5 °C.

Identification

CAS Registry Number	144-11-6
PubChem CID	5572
Molecular formula	C20H31NO
IUPAC name	1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
UNII (FDA)	6RC5V8B7PO

Computed Descriptors

Molecular Weight	301.5
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	301.240564612
Monoisotopic Mass	301.240564612
Topological Polar Surface Area	23.5
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	115
Melting Point	114 °C
Melting Point	258.5 °C
Solubility	3.14e-03 g/L
LogP	4.49
LogP	log Kow = 4.49
LogP	4.5
Dissociation Constants	8.7
Other Experimental Properties	Free base mp 112-113 °C. /L-form/

Physical description & handling notes

• Solid
• Crystals; decomp at 258.5 °C; pH of 1% aq soln 5.5-6.0; solubility (g/100 mL): water at 25 °C 1.0, alcohol 6, chloroform 5; more soluble in methanol; very slightly soluble in ether, benzene /Hydrochloride/
• 175.1 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]
• 169.71 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 178.37 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 173.72 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H301 (100%)

Documented Uses

• Synthetic antispasmodic ... adjunct in the treatment of all forms of parksinonism (postencephalitic, arteriosclerotic, and idiopathic) /Trihexylphenidyl hydrochloride/
• THERAP CAT: Antiparkinsonian /Trihexylphenidyl hydrochloride/
• Use (kg; approx.) in Germany (2009): >10
• Consumption (g per capita; approx.) in Germany (2009): 0.000122
• Consumption (g per capita) in France (2004): 0.00425
• Indicated for the treatment of parkinson's disease and extrapyramidal reactions caused by drugs.

Synonyms

trihexyphenidyl; Benzhexol; 144-11-6; Triphenidyl; Trihexyphenidyle; Benzhexolum; Trihexifenidilo; Trihexyphenidylum; Apo-Trihex; 1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol; 1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-; 6RC5V8B7PO; NSC-12268; DTXSID4023705; 5-20-02-00231 (Beilstein Handbook Reference); Triesifenidile

Frequently Asked Questions

What are the CAS number and molecular formula of Trihexylphenedyl?

CAS 144-11-6; molecular formula C20H31NO; molecular weight — g/mol.

What other names is Trihexylphenedyl known by?

trihexyphenidyl, Benzhexol, 144-11-6, Triphenidyl, Trihexyphenidyle, Benzhexolum.

Is Trihexylphenedyl classified as hazardous?

Hazard statements reported: H301.

What are the key physical properties of Trihexylphenedyl?

Melting Point: 115; Melting Point: 114 °C; Melting Point: 258.5 °C; Solubility: 3.14e-03 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.