| CAS Number | 1312995-87-1 |
| Catalog Number | AG00HSF6 |
| Chemical Name | 2-{1-[3-(t-butyldimethylsilyloxy)propyl]indole-3-yl}acetonitrile |
| IUPAC Name | 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-3-yl]acetonitrile |
| InChI | InChI=1S/C19H28N2OSi/c1-19(2,3)23(4,5)22-14-8-13-21-15-16(11-12-20)17-9-6-7-10-18(17)21/h6-7,9-10,15H,8,11,13-14H2,1-5H3 |
| InChI Key | UFBNCZCDQKQNOU-UHFFFAOYSA-N |
| MDL Number | MFCD25121756 |
| Molecular Formula | C19H28N2OSi |
| Molecular Weight | 328.5239 |
| SMILES | N#CCc1cn(c2c1cccc2)CCCO[Si](C(C)(C)C)(C)C |
| Synonyms | 2-{1-[3-(t-butyldimethylsilyloxy)propyl]indole-3-yl}acetonitrile,
1312995-87-1,
SCHEMBL2020146,
ZINC170002961,
2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-3-yl]acetonitrile,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.19709g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.5g/mol |
| Monoisotopic Mass | 328.19709g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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