| CAS Number | 1172021-00-9 |
| Catalog Number | AG019HRB |
| Chemical Name | N1-Butyl-4-(trifluoromethyl)benzene-1,2-diamine hydrochloride |
| IUPAC Name | 1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine;hydrochloride |
| InChI | InChI=1S/C11H15F3N2.ClH/c1-2-3-6-16-10-5-4-8(7-9(10)15)11(12,13)14;/h4-5,7,16H,2-3,6,15H2,1H3;1H |
| InChI Key | JSOMSLOWXGOLCM-UHFFFAOYSA-N |
| MDL Number | MFCD08448131 |
| Molecular Formula | C11H16ClF3N2 |
| Molecular Weight | 268.7063 |
| SMILES | Cl.CCCCNC1=C(N)C=C(C(F)(F)F)C=C1 |
| Synonyms | N-[2-amino-4-(trifluoromethyl)phenyl]-N-butylamine hydrochloride,
1172021-00-9,
1-N-butyl-4-(trifluoromethyl)benzene-1,2-diamine hydrochloride,
N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine hydrochloride,
AC1Q39PJ,
CTK6E2861,
NE35309,
EN300-04469,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.708g/mol |
| Monoisotopic Mass | 268.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number