Methyl 4-amino-6-indolecarboxylate supplier

Name
METHYL 4-AMINO-6-INDOLECARBOXYLATE
EINECS
CAS No. 121561-15-7
Article Data5
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O₂
Boiling Point 429.8 °C at 760 mmHg
Molecular Weight 190.202
Flash Point 213.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl4-amino-1H-indole-6-carboxylate;1H-indole-6-carboxylic acid, 4-amino-, methyl ester;4-Amino-6-indolecarboxylic acid methyl ester;Methyl 4-amino-1H-indole-6-carboxylate;
PSA 68.11000
LogP 2.11790

Methyl 4-amino-6-indolecarboxylate Specification

The 1H-Indole-6-carboxylicacid, 4-amino-, methyl ester, with the CAS registry number 121561-15-7, has the systematic name of methyl 4-amino-1H-indole-6-carboxylate. It belongs to the following product categories: Amino Acid; Indole/indoline/oxindole; Acids and Derivatives; Heterocycles; Indole; Heterocyclic Compounds. And the molecular formula of the chemical is C₁₀H₁₀N₂O₂.

The characteristics of 1H-Indole-6-carboxylicacid, 4-amino-, methyl ester are as followings: (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)ACD/BCF (pH 5.5): 3.01; (6)ACD/BCF (pH 7.4): 3.04; (7)ACD/KOC (pH 5.5): 76.42; (8)ACD/KOC (pH 7.4): 77.06; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.11 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: 213.7 °C; (20)Enthalpy of Vaporization: 68.51 kJ/mol; (21)Boiling Point: 429.8 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COC(=O)c1cc(N)c2ccnc2c1
(2)InChI: InChI=1/C10H10N2O2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,11H2,1H3
(3)InChIKey: DJZJHJRWIVNSIT-UHFFFAOYAN

Product Name

METHYL 4-AMINO-6-INDOLECARBOXYLATE

Methyl 4-amino-6-indolecarboxylate Specification

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