| CAS Number | 1443981-13-2 |
| Catalog Number | AG01A4LM |
| Chemical Name | tert-butyl N-(1H-1,2,3-triazol-4-yl)carbamate |
| IUPAC Name | tert-butyl N-(2H-triazol-4-yl)carbamate |
| InChI | InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)9-5-4-8-11-10-5/h4H,1-3H3,(H2,8,9,10,11,12) |
| InChI Key | UUUQDHUJWVLANT-UHFFFAOYSA-N |
| MDL Number | MFCD24842764 |
| Molecular Formula | C7H12N4O2 |
| Molecular Weight | 184.1958 |
| SMILES | CC(OC(NC1N=NNC=1)=O)(C)C |
| Synonyms | tert-butyl N-(1H-1,2,3-triazol-4-yl)carbamate,
1443981-13-2,
ZINC95347535,
AKOS033501997,
MCULE-8841676244,
NE18178,
Z1649893255,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.199g/mol |
| Monoisotopic Mass | 184.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number