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142641-33-6

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Basic Information
CAS No.: 142641-33-6
Name: 1H-Indole-2-carboxylicacid,3-amino-,methylester(9CI)
Article Data: 3
Molecular Structure:
Molecular Structure of 142641-33-6 (1H-Indole-2-carboxylicacid,3-amino-,methylester(9CI))
Formula: C10H10N2O2
Molecular Weight: 190.2
Synonyms: Methyl 3-amino-1H-indole-2-carboxylate;Methyl 3-aminoindole-2-carboxylate;
EINECS: 1308068-626-2
Density: 1.339 g/cm3
Boiling Point: 393.4 °C at 760 mmHg
Flash Point: 191.7 °C
PSA: 68.11000
LogP: 2.11790
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Specification

The 1H-Indole-2-carboxylic acid, 3-amino-, methyl ester, with the CAS registry number 142641-33-6, is also known as Methyl 3-aminoindole-2-carboxylate. It belongs to the product category of Aminoacid. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.2. What's more, its systematic name is methyl 3-amino-1H-indole-2-carboxylate.

Physical properties of 1H-Indole-2-carboxylic acid, 3-amino-, methyl ester are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.01; (6)ACD/BCF (pH 7.4): 40.15; (7)ACD/KOC (pH 5.5): 487.59; (8)ACD/KOC (pH 7.4): 489.27; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.47 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 54.53 cm3; (15)Molar Volume: 142 cm3; (16)Polarizability: 21.62×10-24cm3; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 191.7 °C; (20)Enthalpy of Vaporization: 64.33 kJ/mol; (21)Boiling Point: 393.4 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2c(c1ccccc1n2)N
(2)InChI: InChI=1S/C10H10N2O2/c1-14-10(13)9-8(11)6-4-2-3-5-7(6)12-9/h2-5,12H,11H2,1H3
(3)InChIKey: ZHQZMSFQHYXWBW-UHFFFAOYSA-N