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Carbamic acid,N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, phenylmethyl ester (128018-44-0)

Identification
Name:Carbamic acid,N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, phenylmethyl ester
Synonyms:Carbamicacid, (1-oxiranyl-2-phenylethyl)-, phenylmethyl ester, [S-(R*,R*)]-;Carbamicacid, [(1S)-1-(2S)-oxiranyl-2-phenylethyl]-, phenylmethyl ester (9CI);Benzyl[(1S)-1-((2S)-oxiran-2-yl)-2-phenylethyl]carbamate;Benzyl[(1S)-1-((2S)-oxiranyl)-2-phenylethyl]carbamate;
CAS:128018-44-0
Molecular Formula: C18H19NO3
Molecular Weight: 297.35
InChI: InChI=1/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17?/m0/s1
Molecular Structure: (C18H19NO3) Carbamicacid, (1-oxiranyl-2-phenylethyl)-, phenylmethyl ester, [S-(R*,R*)]-;Carbamicacid, [(1S)-1-(2...
Properties
Density:1.205 g/cm3
Refractive index:1.593
Specification:

The (2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane, its cas register number is 128018-44-0. It also can be called as Carbamic acid,N-[(1S)-1-[(2S)-2-oxiranyl]-2-phenylethyl]-, phenylmethyl ester and the Systematic name about this chemical is benzyl N-[(1S)-1-(oxiran-2-yl)-2-phenyl-ethyl]carbamate. It belongs to the API intermediates.

Following are the chemical properties about (2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 50.86Å2; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 83.67 cm3; (7)Molar Volume: 246.6 cm3; (8)Polarizability: 33.16x10-24cm3; (9)Surface Tension: 50.8 dyne/cm; (10)Enthalpy of Vaporization: 74.66 kJ/mol; (11)Vapour Pressure: 1.93E-09 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: c1ccc(cc1)C[C@@H](C2CO2)NC(=O)OCc3ccccc3
(2)InChI: InChI=1/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17?/m0/s1
(3)InChIKey: DURMMNMFHRIMJD-BHWOMJMDBY
(4)Std. InChI: InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17?/m0/s1
(5)Std. InChIKey: DURMMNMFHRIMJD-BHWOMJMDSA-N

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