Ethyl 5-amino-1H-indole-2-carboxylate supplier

Name
5-AMINO-2-INDOLE CARBOXYLIC ACID
EINECS
CAS No. 71086-99-2
Article Data53
CAS DataBase
Density 1.288 g/cm³
Solubility
Melting Point 126-127 °C
Formula C₁₁H₁₂N₂O₂
Boiling Point 420.097 °C at 760 mmHg
Molecular Weight 204.228
Flash Point 207.867 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 68.11000
LogP 2.50800

Ethyl 5-amino-1H-indole-2-carboxylate Specification

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

Product Name

5-AMINO-2-INDOLE CARBOXYLIC ACID

Ethyl 5-amino-1H-indole-2-carboxylate Specification

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