1-Boc-7-aminoindoline - CAS 885272-44-6
Catalog: |
BB038923 |
Product Name: |
1-Boc-7-aminoindoline |
CAS: |
885272-44-6 |
Synonyms: |
7-amino-2,3-dihydroindole-1-carboxylic acid tert-butyl ester; tert-butyl 7-amino-2,3-dihydroindole-1-carboxylate |
IUPAC Name: | tert-butyl 7-amino-2,3-dihydroindole-1-carboxylate |
Description: | 1-Boc-7-aminoindoline (CAS# 885272-44-6) is a useful research chemical. |
Molecular Weight: | 234.29 |
Molecular Formula: | C13H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C1C(=CC=C2)N |
InChI: | InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8,14H2,1-3H3 |
InChI Key: | IGGCXTTVKSYIIK-UHFFFAOYSA-N |
LogP: | 3.21260 |
Publication Number | Title | Priority Date |
WO-2020006233-A1 | Immunomodulatory compounds | 20180629 |
AU-2019293235-A1 | Immunomodulatory compounds | 20180629 |
EP-3814330-A1 | Immunomodulatory compounds | 20180629 |
CN-113166100-A | Immunomodulatory compounds | 20180629 |
US-2021284624-A1 | Immunomodulatory compounds | 20180629 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.136827821 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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