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CAS No.: | 57699-88-4 |
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Name: | 1-Benzyl 2-(tert-butyl) hydrazine-1,2-dicarboxylate |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C13H18N2O4 |
Molecular Weight: | 266.297 |
Synonyms: | 1-Benzyloxycarbonyl-2-tert-butoxycarbonylhydrazine;N-Benzyloxycarbonyl-N'-tert-butoxycarbonylhydrazine;N'-(tert-Butoxycarbonyl)hydrazinecarboxylic acid benzyl ester;1,2-Hydrazinedicarboxylicacid, 1,1-dimethylethyl phenylmethyl ester (9CI); |
Density: | 1.16 g/cm3 |
Melting Point: | 79-80 oC |
Boiling Point: | 378.9 °C at 760 mmHg |
Flash Point: | 182.9 °C |
Hazard Symbols: | Xi |
PSA: | 76.66000 |
LogP: | 3.13430 |
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The 1,2-Hydrazinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, with the CAS registry number 57699-88-4, is also known as 1-Benzyl 2-(tert-butyl) hydrazine-1,2-dicarboxylate. This chemical's molecular formula is C13H18N2O4 and molecular weight is 266.30. What's more, its systematic name is benzyl tert-butyl hydrazine-1,2-dicarboxylate. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 1,2-Hydrazinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 57.2; (6)ACD/BCF (pH 7.4): 53.99; (7)ACD/KOC (pH 5.5): 630.16; (8)ACD/KOC (pH 7.4): 594.88; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 69.67 cm3; (15)Molar Volume: 229.4 cm3; (16)Polarizability: 27.61×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 182.9 °C; (20)Enthalpy of Vaporization: 62.68 kJ/mol; (21)Boiling Point: 378.9 °C at 760 mmHg; (22)Vapour Pressure: 6.1E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NNC(=O)OCc1ccccc1
(2)Std. InChI: InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-14-11(16)18-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)
(3)Std. InChIKey: SBXLAJWMWLOZET-UHFFFAOYSA-N