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Name |
1H-Indole-2-carboxylic acid, 3-amino-, methyl ester |
EINECS | 1308068-626-2 |
CAS No. | 142641-33-6 | Density | 1.339 g/cm3 |
PSA | 68.11000 | LogP | 2.11790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10N2O2 | Boiling Point | 393.4 °C at 760 mmHg |
Molecular Weight | 190.2 | Flash Point | 191.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 3-amino-1H-indole-2-carboxylate;Methyl 3-aminoindole-2-carboxylate; |
Article Data | 3 |
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