| CAS Number | 1223573-54-3 |
| Catalog Number | AG00HGPO(AGN-PC-0WG47J) |
| Chemical Name | (1-BENZYLAMINO-CYCLOBUTYL)-ACETIC ACID ETHYL ESTER |
| IUPAC Name | ethyl 2-[1-(benzylamino)cyclobutyl]acetate |
| InChI | InChI=1S/C15H21NO2/c1-2-18-14(17)11-15(9-6-10-15)16-12-13-7-4-3-5-8-13/h3-5,7-8,16H,2,6,9-12H2,1H3 |
| InChI Key | AMSWIMSSZHYILM-UHFFFAOYSA-N |
| MDL Number | MFCD28404791 |
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.3327 |
| SMILES | CCOC(=O)CC1(CCC1)NCc1ccccc1 |
| Synonyms | (1-Benzylamino-cyclobutyl)-acetic acid ethyl ester,
1223573-54-3,
Ethyl 2-(1-(benzylamino)cyclobutyl)acetate,
MFCD28404791,
ZINC259863360,
TZ000630,
CS-0036256,
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| Complexity | 268 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.338g/mol |
| Monoisotopic Mass | 247.157g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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