1-Boc-5-aminoindoline - CAS 129487-92-9
Catalog: |
BB006994 |
Product Name: |
1-Boc-5-aminoindoline |
CAS: |
129487-92-9 |
Synonyms: |
5-amino-2,3-dihydroindole-1-carboxylic acid tert-butyl ester; tert-butyl 5-amino-2,3-dihydroindole-1-carboxylate |
IUPAC Name: | tert-butyl 5-amino-2,3-dihydroindole-1-carboxylate |
Description: | 1-Boc-5-aminoindoline (CAS# 129487-92-9) 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)15-7-6-9-8-10(14)4-5-11(9)15/h4-5,8H,6-7,14H2,1-3H3 |
InChI Key: | JSNLQWAGJJGYOB-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD08059270 |
LogP: | 3.21260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020006264-A1 | Ligands to cereblon (crbn) | 20180629 |
AU-2019294835-A1 | Ligands to cereblon (CRBN) | 20180629 |
CN-112638380-A | Cereblon (CRBN) ligands | 20180629 |
EP-3813829-A1 | Ligands to cereblon (crbn) | 20180629 |
KR-20210025061-A | Ligand for cerebloon (CRBN) | 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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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