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CAS No.: | 71086-99-2 |
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Name: | 5-AMINO-2-INDOLE CARBOXYLIC ACID |
Article Data: | 53 |
Molecular Structure: | |
Formula: | C11H12N2O2 |
Molecular Weight: | 204.228 |
Synonyms: | Indole-2-carboxylicacid, 5-amino-, ethyl ester (7CI);5-Amino-1H-indole-2-carboxylic acid ethylester;Ethyl 5-amino-1H-indole-2-carboxylate;Ethyl 5-aminoindole-2-carboxylate; |
Density: | 1.288 g/cm3 |
Melting Point: | 126-127 °C |
Boiling Point: | 420.097 °C at 760 mmHg |
Flash Point: | 207.867 °C |
PSA: | 68.11000 |
LogP: | 2.50800 |
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The 1H-Indole-2-carboxylicacid, 5-amino-, ethyl ester, with the CAS registry number 71086-99-2, is also known as ZINC14984978. This chemical's molecular formula is C11H12N2O2 and molecular weight is 204.22518. Its IUPAC name is called ethyl 5-amino-1H-indole-2-carboxylate.
Physical properties of 1H-Indole-2-carboxylicacid, 5-amino-, ethyl ester: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 10; (5)ACD/BCF (pH 7.4): 11; (6)ACD/KOC (pH 5.5): 176; (7)ACD/KOC (pH 7.4): 190; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 59.171 cm3; (13)Molar Volume: 158.551 cm3; (14)Surface Tension: 59.948 dyne/cm; (15)Density: 1.288 g/cm3; (16)Flash Point: 207.867 °C; (17)Enthalpy of Vaporization: 67.39 kJ/mol; (18)Boiling Point: 420.097 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)N
(2)InChI: InChI=1S/C11H12N2O2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2,12H2,1H3
(3)InChIKey: WCGCOZXVVVIAEF-UHFFFAOYSA-N