| CAS Number | 1422344-07-7 |
| Catalog Number | AG019EMW(AGN-PC-0WG4S8) |
| Chemical Name | tert-Butyl ((2-benzyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]carbamate |
| InChI | InChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)20-11-16-17-15(9-10-24-16)13-22(21-17)12-14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,20,23) |
| InChI Key | OGUBICXYNODWPL-UHFFFAOYSA-N |
| MDL Number | MFCD28657180 |
| Molecular Formula | C19H25N3O3 |
| Molecular Weight | 343.4201 |
| SMILES | CC(C)(C)OC(=O)NCC1OCCc2cn(Cc3ccccc3)nc12 |
| Synonyms | 1422344-07-7,
tert-Butyl ((2-benzyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate,
MFCD28657180,
CS-0039052,
t-Butyl ((2-benzyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate,
Tert-Butyl ((2-Benzyl-2,4,5,7-Tetrahydropyrano[3,4-C]Pyrazol-7-Yl)Methyl)Carbamate(WX140969),
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.427g/mol |
| Monoisotopic Mass | 343.19g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number