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Basic Information
CAS No.: 71056-60-5
Name: 1H-Indole-2-carboxylicacid,6-amino-,ethylester(9CI)
Molecular Structure:
Molecular Structure of 71056-60-5 (1H-Indole-2-carboxylicacid,6-amino-,ethylester(9CI))
Formula: C11H12N2O2
Molecular Weight: 204.2252
Synonyms: Ethyl 6-amino-1H-indole-2-carboxylate;
Density: 1.288 g/cm3
Boiling Point: 420.1 °C at 760 mmHg
Flash Point: 207.9 °C
PSA: 68.11000
LogP: 2.50800
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Specification

The systematic name of Ethyl 6-amino-1H-indole-2-carboxylate is ethyl 6-amino-1H-indole-2-carboxylate. With the CAS registry number 71056-60-5, it is also named as 1H-Indole-2-carboxylicacid,6-amino-,ethylester(9CI). The product's category is Aminoacid. In addition, its molecular formula is C11H12N2O2 and molecular weight is 204.2252.

The other characteristics of this product can be summarized as: (1)D/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 13.86; (6)ACD/BCF (pH 7.4): 14.21; (7)ACD/KOC (pH 5.5): 226.85; (8)ACD/KOC (pH 7.4): 232.61; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.11 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 59.17 cm3; (15)Molar Volume: 158.5 cm3; (16)Polarizability: 23.45×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 207.9 °C; (20)Enthalpy of Vaporization: 67.39 kJ/mol; (21)Boiling Point: 420.1 °C at 760 mmHg; (22)Vapour Pressure: 2.89E-07 mmHg at 25 °C.

Preparation of Ethyl 6-amino-1H-indole-2-carboxylate: this chemical can be prepared by 6-Nitro-indole-2-carboxylic acid ethyl ester.



This reaction needs H2, Raney nickel and Methanol. The reaction time is 8 hours. The yield is 81 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCOC(=O)c1cc2ccc(N)cc2n1
(2)InChI: InChI=1/C11H12N2O2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2,12H2,1H3
(3)InChIKey: CFRRQTCJDBVMJF-UHFFFAOYAT