| CAS Number | 1158745-53-9 |
| Catalog Number | AG00HD3M(AGN-PC-0WCKQI) |
| Chemical Name | 1-Boc-5-amino-3,3-dimethylindoline |
| IUPAC Name | tert-butyl 5-amino-3,3-dimethyl-2H-indole-1-carboxylate |
| InChI | InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-9-15(4,5)11-8-10(16)6-7-12(11)17/h6-8H,9,16H2,1-5H3 |
| InChI Key | JGZBEJFXXUVMNV-UHFFFAOYSA-N |
| MDL Number | MFCD12408281 |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.3474 |
| SMILES | CC1(CN(c2c1cc(cc2)N)C(=O)OC(C)(C)C)C |
| Synonyms | 1-BOC-5-AMINO-3,3-DIMETHYLINDOLINE,
1158745-53-9,
ZINC82318948,
PB13548,
CS-0057273,
Q-2041,
tert-Butyl 5-amino-3,3-dimethyl-2,3-dihydro-1H-indole-1-carboxylate,
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| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.353g/mol |
| Monoisotopic Mass | 262.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number