| CAS Number | 1354752-83-2 |
| Catalog Number | AG00HU5V(AGN-PC-0WR0GO) |
| Chemical Name | (S)-BOc-3-benzyl-piperidine-3-carboxylic acid dcha |
| IUPAC Name | (3S)-3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;N-cyclohexylcyclohexanamine |
| InChI | InChI=1S/C18H25NO4.C12H23N/c1-17(2,3)23-16(22)19-11-7-10-18(13-19,15(20)21)12-14-8-5-4-6-9-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21);11-13H,1-10H2/t18-;/m0./s1 |
| InChI Key | NRRTTYWPXUOKJW-FERBBOLQSA-N |
| MDL Number | MFCD26793604 |
| Molecular Formula | C30H48N2O4 |
| Molecular Weight | 500.7131 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)O.C1CCC(CC1)NC2CCCCC2 |
| Synonyms | (S)-Boc-3-benzyl-piperidine-3-carboxylic acid dcha,
1354752-83-2,
MFCD26793604,
|
| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 500.361g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 500.724g/mol |
| Monoisotopic Mass | 500.361g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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