| CAS Number | 1221726-04-0 |
| Catalog Number | AG009IST(AGN-PC-0WACOW) |
| Chemical Name | (5-Phenyl-4H-1,2,4-Triazol-3-Yl)Methanamine Hydrochloride |
| IUPAC Name | (3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C9H10N4.ClH/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7;/h1-5H,6,10H2,(H,11,12,13);1H |
| InChI Key | QHLKYMIYCFIAAG-UHFFFAOYSA-N |
| MDL Number | MFCD14705866 |
| Molecular Formula | C9H11ClN4 |
| Molecular Weight | 210.6634 |
| SMILES | NCC1=NN=C(C2=CC=CC=C2)N1.Cl |
| Synonyms | (3-phenyl-1H-1,2,4-triazol-5-yl)methanamine hydrochloride,
1221726-04-0,
AC1Q3D8V,
CTK7E3923,
MCULE-6955394784,
NE56391,
EN300-60079,
Z1262246230,
C-(5-PHENYL-4H-[1,2,4]TRIAZOL-3-YL)-METHYLAMINE,
QHLKYMIYCFIAAG-UHFFFAOYSA-N,
ACN-039194,
(5-phenyl-2H-1,2,4-triazol-3-yl)methanamine hydrochloride,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.665g/mol |
| Monoisotopic Mass | 210.067g/mol |
| Rotatable Bond Count | 2 |
| 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