N-Boc-indoline-7-carboxaldehyde - CAS 174539-67-4
Catalog: |
BB013023 |
Product Name: |
N-Boc-indoline-7-carboxaldehyde |
CAS: |
174539-67-4 |
Synonyms: |
tert-butyl 7-formyl-2,3-dihydroindole-1-carboxylate |
IUPAC Name: | tert-butyl 7-formyl-2,3-dihydroindole-1-carboxylate |
Description: | N-Boc-indoline-7-carboxaldehyde (CAS# 174539-67-4) is a useful research chemical. |
Molecular Weight: | 247.29 |
Molecular Formula: | C14H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=CC=CC(=C21)C=O |
InChI: | InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-7-10-5-4-6-11(9-16)12(10)15/h4-6,9H,7-8H2,1-3H3 |
InChI Key: | KUYIMEZLCAWOMI-UHFFFAOYSA-N |
Boiling Point: | 364.4 ℃ at 760 mmHg |
Density: | 1.186 g/cm3 |
MDL: | MFCD02187200 |
LogP: | 2.86170 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021124172-A1 | 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof | 20191218 |
WO-2020006016-A1 | Naphthyridinone compounds useful as t cell activators | 20180627 |
AU-2019291792-A1 | Naphthyridinone compounds useful as T cell activators | 20180627 |
BR-112020026568-A2 | NAFTYRIDINONE COMPOUNDS USEFUL AS T-CELL ACTIVATORS | 20180627 |
CN-112585139-A | Nalidinone compounds as T cell activators | 20180627 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.12084340 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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