| CAS Number | 1857523-19-3 |
| Catalog Number | AG019EZ2(AGN-PC-0WG4A4) |
| Chemical Name | Benzyl 2-methylazepane-1-carboxylate |
| IUPAC Name | benzyl 2-methylazepane-1-carboxylate |
| InChI | InChI=1S/C15H21NO2/c1-13-8-4-3-7-11-16(13)15(17)18-12-14-9-5-2-6-10-14/h2,5-6,9-10,13H,3-4,7-8,11-12H2,1H3 |
| InChI Key | XVVUGXCKFNIIHZ-UHFFFAOYSA-N |
| MDL Number | MFCD29917058 |
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.3327 |
| SMILES | CC1CCCCCN1C(=O)OCc1ccccc1 |
| Synonyms | Benzyl 2-methylazepane-1-carboxylate,
1857523-19-3,
MFCD29917058,
AKOS027256101,
CS-0036930,
Benzyl 2-Methylazepane-1-Carboxylate(WXC04459),
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.338g/mol |
| Monoisotopic Mass | 247.157g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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