| CAS Number | 1156034-79-5 |
| Catalog Number | AG01AARW(AGN-PC-0WO74N) |
| Chemical Name | [(dimethyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amine |
| IUPAC Name | 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine |
| InChI | InChI=1S/C6H12N4/c1-5-8-9-6(4-7-2)10(5)3/h7H,4H2,1-3H3 |
| InChI Key | UHMXWCHHEAKJKZ-UHFFFAOYSA-N |
| MDL Number | MFCD12191238 |
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1863 |
| SMILES | CNCC1N(C)C(C)=NN=1 |
| Synonyms | [(dimethyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amine,
1156034-79-5,
[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amine,
AC1Q4182,
ZINC35695721,
AKOS008132228,
MCULE-5339823304,
NE44076,
EN300-69402,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.19g/mol |
| Monoisotopic Mass | 140.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number