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Methyl N-Boc-2-(dimethylphosphono)glycinate

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Name

Methyl N-Boc-2-(dimethylphosphono)glycinate

EINECS N/A
CAS No. 89524-98-1 Density 1.204 g/cm3
PSA 109.97000 LogP 1.88700
Solubility Insoluble in water. Melting Point 67-71°C
Formula C10H20NO7P Boiling Point 398.6 °C at 760 mmHg
Molecular Weight 297.245 Flash Point 194.9 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 89524-98-1 ((+/-)-BOC-ALPHA-PHOSPHONOGLYCINE TRIMETHYL ESTER) Hazard Symbols ToxicT
Synonyms

Aceticacid, (dimethoxyphosphinyl)[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester(9CI);Methyl 2-[(tert-butoxycarbonyl)amino]-2-(dimethoxyphosphoryl)acetate;

Article Data 17

Methyl N-Boc-2-(dimethylphosphono)glycinate 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)

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