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CAS No.: | 103956-00-9 |
---|---|
Name: | Methyl 6-amino-4-indolecarboxylate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.202 |
Synonyms: | Methyl 6-amino-1H-indole-4-carboxylate; |
Density: | 1.339 g/cm3 |
Boiling Point: | 429.8 °C at 760 mmHg |
Flash Point: | 213.7 °C |
PSA: | 68.11000 |
LogP: | 2.11790 |
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The Methyl 6-amino-4-indolecarboxylate is an organic compound with the formula C10H10N2O2. The IUPAC name of this chemical is methyl 6-amino-1H-indole-4-carboxylate. With the CAS registry number 103956-00-9, it is also named as 1H-Indole-4-carboxylic acid, 6-amino-, methyl ester. The product's categories are Aminoacid; Amines and Anilines; Heterocycles; Pharmacetical.
The other characteristics of Methyl 6-amino-4-indolecarboxylate can be summarized as: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.94; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 68.11 Å2; (9)Index of Refraction: 1.694; (10)Molar Refractivity: 54.53 cm3; (11)Molar Volume: 142 cm3; (12)Polarizability: 21.62×10-24 cm3; (13)Surface Tension: 63.7 dyne/cm; (14)Enthalpy of Vaporization: 68.51 kJ/mol; (15)Vapour Pressure: 1.36E-07 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Tautomer Count: 10; (18)Exact Mass: 190.074228; (19)MonoIsotopic Mass: 190.074228; (20)Topological Polar Surface Area: 68.1; (21)Heavy Atom Count: 14; (22)Complexity: 232.
People can use the following data to convert to the molecule structure.
1. SMILES:COC(=O)c1cc(N)cc2nccc12
2. InChI:InChI=1/C10H10N2O2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,11H2,1H3
3. InChIKey:PKIUHYJRVJSXEX-UHFFFAOYAP
4. Std. InChI:InChI=1S/C10H10N2O2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,11H2,1H3
5. Std. InChIKey:PKIUHYJRVJSXEX-UHFFFAOYSA-N