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Acetic acid,2-(dimethoxyphosphinyl)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester (89524-98-1)

Identification
Name:Acetic acid,2-(dimethoxyphosphinyl)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
Synonyms:Aceticacid, (dimethoxyphosphinyl)[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester(9CI);Methyl 2-[(tert-butoxycarbonyl)amino]-2-(dimethoxyphosphoryl)acetate;
CAS:89524-98-1
Molecular Formula: C10H20NO7P
Molecular Weight: 297.24
InChI: InChI=1/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)/t7-/m1/s1
Molecular Structure: (C10H20NO7P) Aceticacid, (dimethoxyphosphinyl)[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester(9CI);Methyl 2-...
Properties
Transport:UN 2811 6.1/PG 3
Density:1.204 g/cm3
Refractive index:1.446
Specification:

The cas register number of Methyl N-Boc-2-(dimethylphosphono)glycinate is 89524-98-1. It also can be called as (Dimethoxyphosphinyl)-{[(1,1-dimethylethoxy)-carbonyl]-amino}-acetic acid methyl ester and the Systematic name about this chemical is methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Physical properties about Methyl N-Boc-2-(dimethylphosphono)glycinate are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.68; (6)ACD/BCF (pH 7.4): 6.64; (7)ACD/KOC (pH 5.5): 135.52; (8)ACD/KOC (pH 7.4): 134.74; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 101.18Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 65.81 cm3; (15)Molar Volume: 246.6 cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.204 g/cm3; (18)Flash Point: 194.9 °C; (19)Enthalpy of Vaporization: 64.92 kJ/mol; (20)Boiling Point: 398.6 °C at 760 mmHg; (21)Vapour Pressure: 1.46E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1.SMILES: O=P(OC)(OC)C(NC(=O)OC(C)(C)C)C(=O)OC
2.InChI: InChI=1/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13) 
3.InChIKey: LJHAPRKTPAREGO-UHFFFAOYAR
4.Std. InChI: InChI=1S/C10H20NO7P/c1-10(2,3)18-9(13)11-7(8(12)15-4)19(14,16-5)17-6/h7H,1-6H3,(H,11,13)

Safety Data
Hazard Symbols T: Toxic
 

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