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Imidodicarbonic acid,2-(2-propen-1-yl)-, 1,3-bis(1,1-dimethylethyl) ester (115269-99-3)

Identification
Name:Imidodicarbonic acid,2-(2-propen-1-yl)-, 1,3-bis(1,1-dimethylethyl) ester
Synonyms:Imidodicarbonicacid, 2-propenyl-, bis(1,1-dimethylethyl) ester (9CI);N,2-Bis(tert-butoxycarbonyl)allylamine;
CAS:115269-99-3
Molecular Formula: C13H23NO4
Molecular Weight: 257.33
InChI: InChI=1/C13H23NO4/c1-8-9-14(10(15)17-12(2,3)4)11(16)18-13(5,6)7/h8H,1,9H2,2-7H3
Molecular Structure: (C13H23NO4) Imidodicarbonicacid, 2-propenyl-, bis(1,1-dimethylethyl) ester (9CI);N,2-Bis(tert-butoxycarbonyl)all...
Properties
Flash Point: 131.4°C
Boiling Point: 293.6°Cat760mmHg
Density:1.019g/cm3
Refractive index:1.46
Specification:

The N,N-Bis-Boc-N-allylamine ,its cas register number is 115269-99-3.It also can be called as Imidodicarbonic acid,2-(2-propen-1-yl)-, 1,3-bis(1,1-dimethylethyl) ester and the IUPAC name about this chemical is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-prop-2-enylcarbamate .It can be used as a pharmaceutical intermediates.

Following are the chemical properties about N,N-Bis-Boc-N-allylamine :(1)#H bond acceptors: 5 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 6 ; (4)Polar Surface Area: 55.84Å2 ; (5)Index of Refraction: 1.46 ; (6)Molar Refractivity: 69.204 cm3 ; (7)Molar Volume: 252.531 cm3 ; (8)Polarizability: 27.435x10-24cm3 ; (9)Surface Tension: 32.66 dyne/cm; (10)Enthalpy of Vaporization: 53.318 kJ/mol ; (11)Vapour Pressure: 0.002 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: O=C(OC(C)(C)C)N(C(=O)OC(C)(C)C)C\C=C
(2)InChI: InChI=1/C13H23NO4/c1-8-9-14(10(15)17-12(2,3)4)11(16)18-13(5,6)7/h8H,1,9H2,2-7H3
(3)InChIKey: YLJIUBLSFUQBSL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H23NO4/c1-8-9-14(10(15)17-12(2,3)4)11(16)18-13(5,6)7/h8H,1,9H2,2-7H3
(5)Std. InChIKey: YLJIUBLSFUQBSL-UHFFFAOYSA-N

Flash Point: 131.4°C
Safety Data
 

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