| CAS Number | 1909347-70-1 |
| Catalog Number | AG01C1MT |
| Chemical Name | 1-(4-{[(tert-butoxy)carbonyl]amino}butyl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]triazole-4-carboxylic acid |
| InChI | InChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)13-6-4-5-7-16-8-9(10(17)18)14-15-16/h8H,4-7H2,1-3H3,(H,13,19)(H,17,18) |
| InChI Key | YQJKVMUVYUUSGV-UHFFFAOYSA-N |
| MDL Number | MFCD29054881 |
| Molecular Formula | C12H20N4O4 |
| Molecular Weight | 284.3116 |
| SMILES | CC(OC(NCCCCN1N=NC(C(O)=O)=C1)=O)(C)C |
| Synonyms | 1-(4-{[(tert-butoxy)carbonyl]amino}butyl)-1H-1,2,3-triazole-4-carboxylic acid,
1909347-70-1,
AKOS033848780,
ZINC299805638,
Z2284399259,
1-(4-((tert-butoxycarbonyl)amino)butyl)-1H-1,2,3-triazole-4-carboxylic acid,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.316g/mol |
| Monoisotopic Mass | 284.148g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number