1-Boc-6-aminoindole - CAS 219508-62-0
Catalog: |
BB046668 |
Product Name: |
1-Boc-6-aminoindole |
CAS: |
219508-62-0 |
Synonyms: |
Tert-Butyl 6-amino-1H-indole-1-carboxylate; N-Boc-6-Aminoindole; Aminoindole-1-carboxylic Acid tert-Butyl Ester; 6-Amino-1H-indole-1-carboxylic Acid tert-Butyl Ester; tert-Butyl 6-Amino-1-indolecarboxylate |
IUPAC Name: | tert-butyl 6-aminoindole-1-carboxylate |
Description: | 1-Boc-6-aminoindole (CAS# 219508-62-0 ) is a useful research chemical. |
Molecular Weight: | 232.28 |
Molecular Formula: | C13H16N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)N |
InChI: | InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,14H2,1-3H3 |
InChI Key: | KYZMFSVVFOVRNK-UHFFFAOYSA-N |
Boiling Point: | 384.2±34.0 °C (Predicted) |
Purity: | 95 % |
Density: | 1.16±0.1 g/cm3 (Predicted) |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.121177757 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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