| CAS Number | 1461715-14-9 |
| Catalog Number | AG01A71K(AGN-PC-0WOA7R) |
| Chemical Name | tert-butyl (2-(5-phenyl-4h-1,2,4-triazol-3-yl)ethyl)carbamate |
| IUPAC Name | tert-butyl N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]carbamate |
| InChI | InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)16-10-9-12-17-13(19-18-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,20)(H,17,18,19) |
| InChI Key | IGSHGUKKMDJLTO-UHFFFAOYSA-N |
| MDL Number | MFCD25970503 |
| Molecular Formula | C15H20N4O2 |
| Molecular Weight | 288.3449 |
| SMILES | CC(OC(NCCC1NC(C2=CC=CC=C2)=NN=1)=O)(C)C |
| Synonyms | 1461715-14-9,
tert-Butyl (2-(5-phenyl-4H-1,2,4-triazol-3-yl)ethyl)carbamate,
tert-butyl N-[2-(5-phenyl-4H-1,2,4-triazol-3-yl)ethyl]carbamate,
MFCD25970503,
ZINC95348370,
NE54640,
AS-47561,
t-Butyl (2-(5-phenyl-4H-1,2,4-triazol-3-yl)ethyl)carbamate,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.351g/mol |
| Monoisotopic Mass | 288.159g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number