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CAS No.: | 186704-03-0 |
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Name: | 1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C15H19NO4 |
Molecular Weight: | 277.3157 |
Synonyms: | 1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE;1-TERT-BUTYL-2-METHYLINDOLINE-1,2-DICARBOXYLATE;Ethyl indoline-2-carboxylate, N-BOC protected 97%;Methyl indoline-2-carboxylate, N-BOC protected 97%;Methyl indoline-2-carboxylate, N-BOC protected;1H-Indole-1,2-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-diMethylethyl) 2-Methyl ester |
Density: | 1.183 g/cm3 |
Boiling Point: | 362.3 °C at 760 mmHg |
Flash Point: | 172.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 55.84000 |
LogP: | 2.59080 |
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The 1H-Indole-1,2-dicarb oxylicacid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 2-methyl ester, with the CAS registry number 186704-03-0, is also known as Ethyl indoline-2-carboxylate. This chemical's molecular formula is C15H19NO4 and molecular weight is 277.3157. What's more, its systematic name is 1-tert-Butyl 2-methyl 2,3-dihydro-1H-indole-1,2-dicarboxylate.
Physical properties about 1H-Indole-1,2-dicarb oxylicacid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 2-methyl ester are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 171.67; (6)ACD/BCF (pH 7.4): 171.67; (7)ACD/KOC (pH 5.5): 1384.21; (8)ACD/KOC (pH 7.4): 1384.21; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 73.14 cm3; (15)Molar Volume: 234.3 cm3; (16)Polarizability: 28.99×10-24 cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 172.9 °C; (20)Enthalpy of Vaporization: 60.82 kJ/mol; (21)Boiling Point: 362.3 °C at 760 mmHg; (22)Vapour Pressure: 1.95E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2c1ccccc1CC2C(=O)OC
(2) InChI: InChI=1/C15H19NO4/c1-15(2,3)20-14(18)16-11-8-6-5-7-10(11)9-12(16)13(17)19-4/h5-8,12H,9H2,1-4H3
(3) InChIKey: JWTYDRKOSWALHD-UHFFFAOYAW