| CAS Number | 1101869-79-7 |
| Catalog Number | AG00HBOX |
| Chemical Name | tert-Butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
| IUPAC Name | tert-butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
| InChI | InChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)21-15-7-8-16(21)11-14(10-15)12-5-4-6-13(9-12)17(20)22/h4-6,9-10,15-16H,7-8,11H2,1-3H3,(H2,20,22) |
| InChI Key | BIINFZWKXXYZNH-UHFFFAOYSA-N |
| MDL Number | MFCD28133428 |
| Molecular Formula | C19H24N2O3 |
| Molecular Weight | 328.4055 |
| SMILES | O=C(N1C2CCC1C=C(C2)c1cccc(c1)C(=O)N)OC(C)(C)C |
| Synonyms | 1101869-79-7,
tert-Butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate,
3-(8-(TERT-BUTOXYCARBONYL)-8-AZA-BICYCLO[3.2.1]OCT-2-EN-3-YL)BENZAMIDE,
SCHEMBL1631920,
BIINFZWKXXYZNH-UHFFFAOYSA-N,
MFCD28133428,
AKOS027253546,
CS-0060987,
3-(8-(t-Butoxycarbonyl)-8-aza-bicyclo[3.2.1]oct-2-en-3-yl)benzamide,
3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester,
N-boc-3-(8-aza-bicyclo[3.2.1]octan-3-yl)benzamide,
|
| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.412g/mol |
| Monoisotopic Mass | 328.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number