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Trihexylphenedyl

CAS 144-11-6C20H31NOMW 301.5

Trihexylphenedyl (CAS 144-11-6) — formula C20H31NO, molecular weight 301.5; category organic chemicals.

Specifications

CAS Number144-11-6
Molecular FormulaC20H31NO
Molecular Weight301.5
Melting Point115
LogP4.49
CategoryOrganic Chemicals

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What this product is

Trihexylphenedyl is a carbon-based organic compound with CAS registry number 144-11-6 and molecular formula C20H31NO (molecular weight 301.5), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 144-11-6

Its molecular formula C20H31NO comprises 20 C, 31 H, 1 N, 1 O atoms.

Also known as: Trihexylphenedyl

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Trihexylphenedyl?

The CAS registry number of Trihexylphenedyl is 144-11-6.

What is the molecular formula and molecular weight of Trihexylphenedyl?

Molecular formula C20H31NO, molecular weight 301.5.

What other names is Trihexylphenedyl known by?

It is also registered under: Trihexylphenedyl.

Which category does Trihexylphenedyl belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for Trihexylphenedyl (CAS 144-11-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH301 (100%)

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Physical description and 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]

Reported physical properties

熔点115
熔点114 °C
熔点258.5 °C
溶解度3.14e-03 g/L
LogP4.49
LogPlog Kow = 4.49
LogP4.5
Dissociation Constants8.7
Other Experimental PropertiesFree base mp 112-113 °C. /L-form/

How this substance is indexed

CAS Registry Number144-11-6
PubChem CID5572
分子式C20H31NO
IUPAC 名称1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
UNII(FDA)6RC5V8B7PO

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.

Names this substance appears under

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

Computed molecular descriptors

分子量301.5
XLogP34.5
氢键供体数1
氢键受体数2
可旋转键数5
精确质量301.240564612
单同位素质量301.240564612
拓扑极性表面积23.5
重原子数22
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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