| CAS Number | 1092977-07-5 |
| Catalog Number | AG01DTRI(AGN-PC-0HYQJ2) |
| Chemical Name | 2-(3-butoxyphenyl)-(tert-butoxycarbonyl)ethylamine |
| IUPAC Name | tert-butyl N-[2-(3-butoxyphenyl)ethyl]carbamate |
| InChI | InChI=1S/C17H27NO3/c1-5-6-12-20-15-9-7-8-14(13-15)10-11-18-16(19)21-17(2,3)4/h7-9,13H,5-6,10-12H2,1-4H3,(H,18,19) |
| InChI Key | JTVVOZLXESVEPH-UHFFFAOYSA-N |
| MDL Number | MFCD24470810 |
| Molecular Formula | C17H27NO3 |
| Molecular Weight | 293.4012 |
| SMILES | CCCCOc1cccc(CCNC(=O)OC(C)(C)C)c1 |
| Synonyms | tert-Butyl 3-butoxyphenethylcarbamate,
1092977-07-5,
SCHEMBL3026698,
t-Butyl 3-butoxyphenethylcarbamate,
MFCD24470810,
AKOS027336136,
ZINC142761041,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.407g/mol |
| Monoisotopic Mass | 293.199g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number