| CAS Number | 1269199-01-0 |
| Catalog Number | AG00J1FH |
| Chemical Name | (4-Cyclohexyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride |
| IUPAC Name | (4-cyclohexyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C9H16N4.2ClH/c10-6-9-12-11-7-13(9)8-4-2-1-3-5-8;;/h7-8H,1-6,10H2;2*1H |
| InChI Key | CNGXBJOBYHYGIX-UHFFFAOYSA-N |
| MDL Number | MFCD09864327 |
| Molecular Formula | C9H18Cl2N4 |
| Molecular Weight | 253.1720 |
| SMILES | N1(C2CCCCC2)C=NN=C1CN.Cl.Cl |
| Synonyms | [(4-Cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]amine dihydrochloride,
1269199-01-0,
ZX-CM004242,
MFCD09864327,
MCULE-5231815940,
4014155-25G,
4014155-50G,
(4-Cyclohexyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride,
1-(4-Cyclohexyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride, AldrichCPR,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.171g/mol |
| Monoisotopic Mass | 252.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number