Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate |
EINECS | N/A |
CAS No. | 105228-46-4 | Density | 1.242 g/cm3 |
PSA | 55.84000 | LogP | 4.60250 |
Solubility | N/A | Melting Point |
205-207 °C(lit.) |
Formula | C24H21NO4 | Boiling Point | 583.5 °C at 760 mmHg |
Molecular Weight | 387.435 | Flash Point | 306.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2S-cis)-;benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate;4-morpholinecarboxylic acid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2S,3R)-;Benzyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate;Benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate; |
Article Data | 4 |
The Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate, with the CAS registry number 105228-46-4, has the systematic name of benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate. It belongs to the following product categories: Chiral Building Blocks; Heterocyclic Building Blocks; Morpholines. And the molecular formula of the chemical is C24H21NO4.
The characteristics of Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate are as followings: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 108.07 cm3; (9)Molar Volume: 311.7 cm3; (10)Polarizability: 42.84×10-24cm3; (11)Surface Tension: 51.5 dyne/cm; (12)Density: 1.242 g/cm3; (13)Flash Point: 306.7 °C; (14)Enthalpy of Vaporization: 87.21 kJ/mol; (15)Boiling Point: 583.5 °C at 760 mmHg; (16)Vapour Pressure: 1.33E-13 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N3[C@H](c2ccccc2)[C@@H](OC(=O)C3)c4ccccc4
(2)InChI: InChI=1/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m1/s1
(3)InChIKey: HECRUWTZAMPQOS-PKTZIBPZBT