1H-Indole-1-carboxylicacid, 4-amino-, 1,1-dimethylethyl ester supplier

Name
1-BOC-4-AMINOINDOLE
EINECS
CAS No. 885270-30-4
Article Data5
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂O₂
Boiling Point 384.2 °C at 760 mmHg
Molecular Weight 232.282
Flash Point 186.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Boc-4-aminoindole;tert-Butyl 4-aminoindole-1-carboxylate;
PSA 57.25000
LogP 3.58790

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

Product Name

1-BOC-4-AMINOINDOLE

1H-Indole-1-carboxylicacid, 4-amino-, 1,1-dimethylethyl ester Specification

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