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CAS No.: | 5893-05-0 |
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Name: | TRT-GLY-OH |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C21H19NO2 |
Molecular Weight: | 317.387 |
Synonyms: | Glycine,N-trityl- (6CI,7CI,8CI);N-(Triphenylmethyl)glycine;N-Tritylglycine;NSC66471;Tritylglycine;N-tritylglycine;glycine, N-(triphenylmethyl)-;N-Tritylglycine;Glycine, N- (triphenylmethyl)-;GLYCINE,N-TRITYL;N-(Triphenylmethyl)glycine;Trityl-glycine; |
EINECS: | 1533716-785-6 |
Density: | 1.178 g/cm3 |
Melting Point: | 172-174°C |
Boiling Point: | 480 °C at 760 mmHg |
Flash Point: | 244.1 °C |
Safety: | 22-24/25 |
PSA: | 49.33000 |
LogP: | 4.04360 |
The Glycine,N-(triphenylmethyl)-, with the CAS registry number 13291-61-7 and EINECS registry number 5893-05-0, has the systematic name of N-tritylglycine. It belongs to the categories of Amino Acid Derivatives and Amino Acids. And the molecular formula of the chemical is C21H19NO2. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Glycine,N-(triphenylmethyl)- are as followings: (1)ACD/LogP: 5.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 90.95; (6)ACD/BCF (pH 7.4): 26.79; (7)ACD/KOC (pH 5.5): 200.37; (8)ACD/KOC (pH 7.4): 59.02; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 93.96 cm3; (15)Molar Volume: 269.2 cm3; (16)Polarizability: 37.24×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.178 g/cm3; (19)Flash Point: 244.1 °C; (20)Enthalpy of Vaporization: 78.41 kJ/mol; (21)Boiling Point: 480 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-10 mmHg at 25°C.
Uses of Glycine,N-(triphenylmethyl)-: It can react with N-trityl-glycine to produce 3-triphenylmethyl-5-oxazolidinone. This reaction will need reagent toluene. The reaction time is 15 minutes with heating, and the yield is about 90%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CNC(c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C21H19NO2/c23-20(24)16-22-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,22H,16H2,(H,23,24)
(3)InChIKey: XUXRXWLKUYPGMZ-UHFFFAOYAI