5-N-Boc-Amino-1H-indole supplier

Name
(1H-INDOL-5-YL)-CARBAMIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 184031-16-1
Article Data8
CAS DataBase
Density 1.217 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂O₂
Boiling Point 350.355 °C at 760 mmHg
Molecular Weight 232.282
Flash Point 165.689 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, 1H-indol-5-yl-, 1,1-dimethylethyl ester (9CI);(1H-Indol-5-yl)carbamicacid tert-butyl ester;
PSA 54.12000
LogP 3.58790

5-N-Boc-Amino-1H-indole Specification

This chemical is called 5-N-Boc-Amino-1H-indole, and its systematic name is tert-butyl 1H-indol-5-ylcarbamate. With the molecular formula of C₁₃H₁₆N₂O₂, its molecular weight is 232.28. The CAS registry number of this chemical is 184031-16-1.

Other characteristics of the 5-N-Boc-Amino-1H-indole can be summarised as followings: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 98; (6)ACD/BCF (pH 7.4): 98; (7)ACD/KOC (pH 5.5): 925; (8)ACD/KOC (pH 7.4): 925; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.12 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 68.41 cm³; (15)Molar Volume: 190.885 cm³; (16)Polarizability: 27.12×10^-24cm³; (17)Surface Tension: 50.385 dyne/cm; (18)Density: 1.217 g/cm³; (19)Flash Point: 165.689 °C; (20)Enthalpy of Vaporization: 59.495 kJ/mol; (21)Boiling Point: 350.355 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)Nc1cc2c(cc1)ncc2
2.InChI: InChI=1/C13H16N2O2/c1-13(2,3)17-12(16)15-10-4-5-11-9(8-10)6-7-14-11/h4-8,14H,1-3H3,(H,15,16)
3.InChIKey: VGVLKMYJBZYCIS-UHFFFAOYAV

Product Name

(1H-INDOL-5-YL)-CARBAMIC ACID TERT-BUTYL ESTER

5-N-Boc-Amino-1H-indole Specification

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