| CAS Number | 1171438-47-3 |
| Catalog Number | AG019MLU(AGN-PC-06D8PC) |
| Chemical Name | N1,N1-dimethyl-3-(trifluoromethyl)benzene-1,4-diamine hydrochloride |
| IUPAC Name | 4-N,4-N-dimethyl-2-(trifluoromethyl)benzene-1,4-diamine;hydrochloride |
| InChI | InChI=1S/C9H11F3N2.ClH/c1-14(2)6-3-4-8(13)7(5-6)9(10,11)12;/h3-5H,13H2,1-2H3;1H |
| InChI Key | SBXKNCLWNJWTSG-UHFFFAOYSA-N |
| MDL Number | MFCD10686915 |
| Molecular Formula | C9H12ClF3N2 |
| Molecular Weight | 240.6532 |
| SMILES | Cl.CN(C1=CC(C(F)(F)F)=C(N)C=C1)C |
| Synonyms | 1171438-47-3,
N-[4-amino-3-(trifluoromethyl)phenyl]-N,N-dimethylamine hydrochloride,
N1,N1-dimethyl-3-(trifluoromethyl)benzene-1,4-diamine hydrochloride,
AC1Q3BKF,
CTK6H9557,
AKOS016902610,
MCULE-1129462629,
NE21258,
EN300-36555,
J-003516,
Z370706820,
1-N,1-N-dimethyl-3-(trifluoromethyl)benzene-1,4-diamine hydrochloride,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.654g/mol |
| Monoisotopic Mass | 240.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number