| CAS Number | 1006348-75-9 |
| Catalog Number | AG008VLI(AGN-PC-0WB5TB) |
| Chemical Name | 2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine |
| IUPAC Name | 2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine |
| InChI | InChI=1S/C9H14F3N3/c1-6(4-13)5-15-8(9(10,11)12)3-7(2)14-15/h3,6H,4-5,13H2,1-2H3 |
| InChI Key | KXBCPRSVJPVCNI-UHFFFAOYSA-N |
| MDL Number | MFCD08559043 |
| Molecular Formula | C9H14F3N3 |
| Molecular Weight | 221.2228 |
| SMILES | CC(CN1C(C(F)(F)F)=CC(C)=N1)CN |
| Synonyms | 1006348-75-9,
2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine,
2-Methyl-3-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine,
2-METHYL-3-[3-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1-PROPANAMINE,
DTXSID00598871,
ZX-CM009211,
ZX-RL007144,
MFCD08559043,
SBB024507,
STK351480,
AKOS005167518,
MCULE-6038218729,
PC410415,
EN300-231166,
Y-3944,
2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazolyl]propylamine,
2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1-propanamine(SALTDATA,
2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propan-1-amine,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.227g/mol |
| Monoisotopic Mass | 221.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number