1-Boc-5-aminoindole supplier | CasNO.166104-20-7

Name
1-Boc-5-aminoindole
EINECS
CAS No. 166104-20-7
Article Data11
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂O₂
Boiling Point 384.15 °C at 760 mmHg
Molecular Weight 232.282
Flash Point 186.128 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(tert-Butoxycarbonyl)indol-5-amine;5-Aminoindole-1-carboxylic acid tert-butyl ester;tert-Butyl5-amino-1H-indole-1-carboxylate;1H-Indole-1-carboxylicacid, 5-amino-, 1,1-dimethylethyl ester;2-Methyl-2-propanyl 5-amino-1H-indole-1-carboxylate;
PSA 57.25000
LogP 3.58790

1-Boc-5-aminoindole Specification

The 1-Boc-5-aminoindole, with the CAS registry number 166104-20-7, is also known as 5-Amino-indole-1-carboxylic acid tert-butyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₃H₁₆N₂O₂ and molecular weight is 232.28. What's more, its systematic name is 2-Methyl-2-propanyl 5-amino-1H-indole-1-carboxylate.

Physical properties of 1-Boc-5-aminoindole are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 50.80; (6)ACD/BCF (pH 7.4): 53.78; (7)ACD/KOC (pH 5.5): 569.59; (8)ACD/KOC (pH 7.4): 602.98; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.25 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 65.446 cm³; (15)Molar Volume: 198.99 cm³; (16)Polarizability: 25.945×10^-24cm³; (17)Surface Tension: 41.52 dyne/cm; (18)Density: 1.167 g/cm³; (19)Flash Point: 186.128 °C; (20)Enthalpy of Vaporization: 63.278 kJ/mol; (21)Boiling Point: 384.15 °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)n2c1ccc(cc1cc2)N
(2)Std. InChI: InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,14H2,1-3H3
(3)Std. InChIKey: KYCVRKPFNLCHLL-UHFFFAOYSA-N

Product Name

1-Boc-5-aminoindole

1-Boc-5-aminoindole Specification

Related Products

Hot Products