5-Amino-2-indolecarboxylic acid supplier

Name
5-Amino-2-indolecarboxylic acid
EINECS
CAS No. 152213-40-6
Article Data6
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 518.715 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 267.51 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-amino-1H-indole-2-carboxylic acid;5-Amino-2-indole carboxylic acid;
PSA 79.11000
LogP 2.02950

5-Amino-2-indolecarboxylic acid Specification

The 5-Amino-2-indolecarboxylic acid is an organic compound with the formula C₉H₈N₂O₂. The IUPAC name of this chemical is 5-amino-1H-indole-2-carboxylic acid. With the CAS registry number 152213-40-6, it is also named as 1H-indole-2-carboxylic acid, 5-amino-. In addition, the molecular weight is 176.17.

The other characteristics of 5-Amino-2-indolecarboxylic acid can be summarized as: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 79.11 Å²; (11)Index of Refraction: 1.796; (12)Molar Refractivity: 49.695 cm³; (13)Molar Volume: 116.681 cm³; (14)Polarizability: 19.701×10^-24 cm³; (15)Surface Tension: 89.286 dyne/cm; (16)Enthalpy of Vaporization: 83.308 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 15; (20)Exact Mass: 176.058578; (21)MonoIsotopic Mass: 176.058578; (22)Topological Polar Surface Area: 79.1; (23)Heavy Atom Count: 13; (24)Complexity: 220.

People can use the following data to convert to the molecule structure.
1. SMILES:OC(=O)c1cc2cc(N)ccc2n1
2. InChI:InChI=1/C9H8N2O2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,10H2,(H,12,13)
3. InChIKey:NKFIBMOQAPEKNZ-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C9H8N2O2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,10H2,(H,12,13)
5. Std. InChIKey:NKFIBMOQAPEKNZ-UHFFFAOYSA-N

Product Name

5-Amino-2-indolecarboxylic acid

5-Amino-2-indolecarboxylic acid Specification

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