Phosphinic acid,P-(3-aminopropyl)-P-(cyclohexylmethyl)- supplier

Name
CGP 46381
EINECS
CAS No. 123691-14-5
Article Data3
CAS DataBase
Density 1.083 g/cm³
Solubility
Melting Point 245oC
Formula C₁₀H₂₂NO₂P
Boiling Point 441.2 °C at 760 mmHg
Molecular Weight 219.264
Flash Point 220.6 °C
Transport Information
Appearance White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phosphinicacid, (3-aminopropyl)(cyclohexylmethyl)- (9CI);(3-Aminopropyl)(cyclohexylmethyl)phosphinic acid;CGP 46381;Phosphinic acid, (3-aminopropyl)(cyclohexylmethyl)-;Phosphinic acid, P-(3-aminopropyl)-P-(cyclohexylmethyl)-;
PSA 73.13000
LogP 2.88620

Phosphinic acid,P-(3-aminopropyl)-P-(cyclohexylmethyl)- Specification

The Phosphinic acid,P-(3-aminopropyl)-P-(cyclohexylmethyl)-, with the CAS registry number 123691-14-5, has the systematic name of (3-aminopropyl)(cyclohexylmethyl)phosphinic acid. It belongs to the product category of GABA/Glycine receptor. And the molecular formula of the chemical is C₁₀H₂₂NO₂P.

The characteristics of Phosphinic acid,P-(3-aminopropyl)-P-(cyclohexylmethyl)- are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 39.35 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 58.2 cm³; (15)Molar Volume: 202.3 cm³; (16)Polarizability: 23.07×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.083 g/cm³; (19)Flash Point: 220.6 °C; (20)Enthalpy of Vaporization: 76.58 kJ/mol; (21)Boiling Point: 441.2 °C at 760 mmHg; (22)Vapour Pressure: 5.12E-09 mmHg at 25°C.

Preparation of Phosphinic acid,P-(3-aminopropyl)-P-(cyclohexylmethyl)-: This chemical can be prepared by (3-aminopropyl)benzylphosphinic acid. The reaction will need reagent H₂, catalyst Rh₂O₃/PtO₂, and the menstruum methanol. The reaction time is 8.5 hours with ambient temperature, and the yield is about 100%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(O)(CC1CCCCC1)CCCN
(2)InChI: InChI=1/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
(3)InChIKey: XOESDNIUAWGCLU-UHFFFAOYAR

Product Name

CGP 46381

Phosphinic acid,P-(3-aminopropyl)-P-(cyclohexylmethyl)- Specification

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