| CAS Number | 1019597-66-0 |
| Catalog Number | AG01A8VB |
| Chemical Name | 1-(furan-3-carbonyl)-2,3-dihydro-1H-indol-5-amine |
| IUPAC Name | (5-amino-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone |
| InChI | InChI=1S/C13H12N2O2/c14-11-1-2-12-9(7-11)3-5-15(12)13(16)10-4-6-17-8-10/h1-2,4,6-8H,3,5,14H2 |
| InChI Key | HTTWPHVXNOQCJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11137558 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | NC1=CC2=C(N(C(C3=COC=C3)=O)CC2)C=C1 |
| Synonyms | 1-(furan-3-carbonyl)-2,3-dihydro-1H-indol-5-amine,
1019597-66-0,
1-[(furan-3-yl)carbonyl]-2,3-dihydro-1H-indol-5-amine,
AC1Q52DF,
ZINC19874563,
AKOS000225540,
NE50729,
EN300-62657,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number