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Cas Database |
| Name |
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane |
EINECS | N/A |
| CAS No. | 128018-44-0 | Density | 1.206 g/cm3 |
| PSA | 50.86000 | LogP | 3.31380 |
| Solubility | N/A | Melting Point |
77-80 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6)) |
| Formula | C18H19NO3 | Boiling Point | 481.8 °C at 760 mmHg |
| Molecular Weight | 297.354 | Flash Point | 245.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 48 |
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane 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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