| CAS Number | 1215296-00-6 |
| Catalog Number | AG009DXO(AGN-PC-0WB5TV) |
| Chemical Name | 1-Benzyl-3-bromo-N,N-dimethyl-1H-1,2,4-triazol-5-amine |
| IUPAC Name | 2-benzyl-5-bromo-N,N-dimethyl-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C11H13BrN4/c1-15(2)11-13-10(12)14-16(11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChI Key | GOPIWHGUGSZBBJ-UHFFFAOYSA-N |
| MDL Number | MFCD14702897 |
| Molecular Formula | C11H13BrN4 |
| Molecular Weight | 281.1517 |
| SMILES | C1(N(C)C)N(CC2=CC=CC=C2)N=C(Br)N=1 |
| Synonyms | 1215296-00-6,
1-BENZYL-3-BROMO-N,N-DIMETHYL-1H-1,2,4-TRIAZOL-5-AMINE,
DTXSID70679762,
ZX-CM009130,
MFCD14702897,
ZINC42384316,
AKOS022185605,
FCH2818067,
MCULE-2498132987,
AJ-104373,
Y-7533,
4040160-25G,
1-benzyl-3-bromo-N,N-dimethyl-1H-1,2,4-triazol-5-amine(SALTDATA,
GOPIWHGUGSZBBJ-UHFFFAOYSA-N,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.157g/mol |
| Monoisotopic Mass | 280.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number