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Cas Database |
| Name |
1H-Indole-1-carboxylicacid, 4-amino-, 1,1-dimethylethyl ester |
EINECS | N/A |
| CAS No. | 885270-30-4 | Density | 1.16 g/cm3 |
| PSA | 57.25000 | LogP | 3.58790 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H16N2O2 | Boiling Point | 384.2 °C at 760 mmHg |
| Molecular Weight | 232.282 | Flash Point | 186.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Boc-4-aminoindole;tert-Butyl 4-aminoindole-1-carboxylate; |
Article Data | 5 |
1H-Indole-1-carboxylicacid, 4-amino-, 1,1-dimethylethyl ester Specification
The 1H-Indole-1-carboxylicacid, 4-amino-, 1,1-dimethylethyl ester, also known as 1-Boc-4-aminoindole, is the organic compound with the formula C13H16N2O2. With the CAS registry number 885270-30-4, its IUPAC name is tert-butyl 4-aminoindole-1-carboxylate.
Physical properties of 1H-Indole-1-carboxylicacid, 4-amino-, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.58; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 65.44 cm3; (9)Molar Volume: 198.9 cm3; (10)Surface Tension: 41.5 dyne/cm; (11)Density: 1.16 g/cm3; (12)Flash Point: 186.1 °C; (13)Enthalpy of Vaporization: 63.28 kJ/mol; (14)Boiling Point: 384.2 °C at 760 mmHg; (15)Vapour Pressure: 4.18E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2N
(2)InChI: InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,14H2,1-3H3
(3)InChIKey: OKLWIGZVXJTALB-UHFFFAOYSA-N
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