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82576-63-4

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Basic Information
CAS No.: 82576-63-4
Name: N,N-bis(2-chloroethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2-oxazaphosphinan-2-amine 2-oxide
Molecular Structure:
Molecular Structure of 82576-63-4 (N,N-bis(2-chloroethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2-oxazaphosphinan-2-amine 2-oxide)
Formula: C16H32Cl2N3O2P
Molecular Weight: 400.329
Synonyms: N,N-bis(2-chloroethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;N,N-bis(2-chloroethyl)-2-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-oxazaphosphinan-2-amine;
Density: 1.2 g/cm3
Boiling Point: 457.1 °C at 760 mmHg
Flash Point: 230.3 °C
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    82576-63-4

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    2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(2-chloroethyl)tetrahydro-3-(2,2,6,6-tetramethyl-4-piperidinyl)-,2-oxide Application:Organic Chemicals

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Specification

The 2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(2-chloroethyl)tetrahydro-3-(2,2,6,6-tetramethyl-4-piperidinyl)-,2-oxide, with the CAS registry number 82576-63-4, has the systematic name of N,N-bis(2-chloroethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2-oxazaphosphinan-2-amine 2-oxide. And the molecular formula of the chemical is C16H32Cl2N3O2P.

The characteristics of 2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(2-chloroethyl)tetrahydro-3-(2,2,6,6-tetramethyl-4-piperidinyl)-,2-oxide are as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 45.83 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 101.6 cm3; (9)Molar Volume: 331.2 cm3; (10)Polarizability: 40.27×10-24cm3; (11)Surface Tension: 43.9 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 230.3 °C; (14)Enthalpy of Vaporization: 71.72 kJ/mol; (15)Boiling Point: 457.1 °C at 760 mmHg; (16)Vapour Pressure: 1.53E-08 mmHg at 25°C.

Preparation of 2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(2-chloroethyl)tetrahydro-3-(2,2,6,6-tetramethyl-4-piperidinyl)-,2-oxide: This chemical can be prepared by bis-(2-chloro-ethyl)-phosphoramidic acid dichloride and 3-(2,2,6,6-tetramethyl-πperidin-4-ylamino)-propan-1-ol. The reaction will need reagent Et3N, and the menstruum ethyl acetate. The reaction time is 2 days with temperature of 25°C, and the yield is about 34%.  

 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P2(OCCCN2C1CC(NC(C)(C)C1)(C)C)N(CCCl)CCCl
(2)InChI: InChI=1/C16H32Cl2N3O2P/c1-15(2)12-14(13-16(3,4)19-15)21-8-5-11-23-24(21,22)20(9-6-17)10-7-18/h14,19H,5-13H2,1-4H3
(3)InChIKey: YODYWNKJLGXFMH-UHFFFAOYAG