| CAS Number | 1820666-12-3 |
| Catalog Number | AG01AMQR |
| Chemical Name | oxalic acid; tert-butyl N-(1-amino-3-phenylpropan-2-yl)-N-methylcarbamate |
| IUPAC Name | tert-butyl N-(1-amino-3-phenylpropan-2-yl)-N-methylcarbamate;oxalic acid |
| InChI | InChI=1S/C15H24N2O2.C2H2O4/c1-15(2,3)19-14(18)17(4)13(11-16)10-12-8-6-5-7-9-12;3-1(4)2(5)6/h5-9,13H,10-11,16H2,1-4H3;(H,3,4)(H,5,6) |
| InChI Key | PYNGGDGLSJCCHZ-UHFFFAOYSA-N |
| MDL Number | MFCD29033992 |
| Molecular Formula | C17H26N2O6 |
| Molecular Weight | 354.3981 |
| SMILES | CN(C(OC(C)(C)C)=O)C(CC1=CC=CC=C1)CN.OC(C(O)=O)=O |
| Synonyms | 1820666-12-3,
oxalic acid, tert-butyl N-(1-amino-3-phenylpropan-2-yl)-N-methylcarbamate,
Oxalic acid; tert-butyl N-(1-amino-3-phenylpropan-2-yl)-N-methylcarbamate,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.403g/mol |
| Monoisotopic Mass | 354.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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