| CAS Number | 1609395-99-4 |
| Catalog Number | AG00J2QD(AGN-PC-0WB71F) |
| Chemical Name | 1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride |
| IUPAC Name | [3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C4H5F3N4.ClH/c5-4(6,7)3-9-2(1-8)10-11-3;/h1,8H2,(H,9,10,11);1H |
| InChI Key | XDDZIMVDOKJDSC-UHFFFAOYSA-N |
| MDL Number | MFCD27500671 |
| Molecular Formula | C4H6ClF3N4 |
| Molecular Weight | 202.5654 |
| SMILES | C1(C(F)(F)F)=NNC(CN)=N1.Cl |
| Synonyms | 1609395-99-4,
[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride,
(3-(Trifluoromethyl)-1H-1,2,4-triazol-5-yl)methanamine hydrochloride,
1-[3-(Trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride,
MFCD27500671,
AKOS026726697,
NE42548,
Z2442061856,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.565g/mol |
| Monoisotopic Mass | 202.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number