| CAS Number | 936940-65-7 |
| Catalog Number | AG00J36N(AGN-PC-0WONJ3) |
| Chemical Name | N-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)methanamine |
| IUPAC Name | N-methyl-1-(4-methyl-1,2,4-triazol-3-yl)methanamine |
| InChI | InChI=1S/C5H10N4/c1-6-3-5-8-7-4-9(5)2/h4,6H,3H2,1-2H3 |
| InChI Key | VXKNGTCDCIRERB-UHFFFAOYSA-N |
| MDL Number | MFCD08059663 |
| Molecular Formula | C5H10N4 |
| Molecular Weight | 126.1597 |
| SMILES | CNCC1N(C)C=NN=1 |
| Synonyms | 936940-65-7,
N-Methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)methanamine,
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine,
SCHEMBL17484263,
MFCD08059663,
ZINC19090507,
AKOS003673103,
AJ-71431,
Z1603771956,
Y-3310,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.163g/mol |
| Monoisotopic Mass | 126.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number