| CAS Number | 1064048-70-9 |
| Catalog Number | AG019F1C(AGN-PC-0WG4B6) |
| Chemical Name | tert-Butyl ((1-benzhydrylazetidin-3-yl)methyl)(methyl)carbamate |
| IUPAC Name | tert-butyl N-[(1-benzhydrylazetidin-3-yl)methyl]-N-methylcarbamate |
| InChI | InChI=1S/C23H30N2O2/c1-23(2,3)27-22(26)24(4)15-18-16-25(17-18)21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-17H2,1-4H3 |
| InChI Key | PTZNHGUSSATYQK-UHFFFAOYSA-N |
| MDL Number | MFCD30185068 |
| Molecular Formula | C23H30N2O2 |
| Molecular Weight | 366.4965 |
| SMILES | CN(CC1CN(C1)C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl ((1-benzhydrylazetidin-3-yl)methyl)(methyl)carbamate,
1064048-70-9,
SCHEMBL13215262,
MFCD30185068,
AKOS027428810,
ZINC202650937,
CS-0037277,
t-Butyl ((1-benzhydrylazetidin-3-yl)methyl)(methyl)carbamate,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.505g/mol |
| Monoisotopic Mass | 366.231g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number