| CAS Number | 1332529-79-9 |
| Catalog Number | AG01FOH9(AGN-PC-0WC7XT) |
| Chemical Name | [5-(trifluoromethyl)pyridin-3-yl]methanamine dihydrochloride |
| IUPAC Name | [5-(trifluoromethyl)pyridin-3-yl]methanamine;dihydrochloride |
| InChI | InChI=1S/C7H7F3N2.2ClH/c8-7(9,10)6-1-5(2-11)3-12-4-6;;/h1,3-4H,2,11H2;2*1H |
| InChI Key | XRJFAOSMGPIFLC-UHFFFAOYSA-N |
| MDL Number | MFCD16988625 |
| Molecular Formula | C7H9Cl2F3N2 |
| Molecular Weight | 249.0610 |
| SMILES | NCc1cncc(c1)C(F)(F)F.Cl.Cl |
| Synonyms | (5-(Trifluoromethyl)pyridin-3-yl)methanamine dihydrochloride,
1332529-79-9,
1020747-92-5,
c-(5-Trifluoromethyl-pyridin-3-yl)-methylaminedihydrochloride,
[5-(trifluoromethyl)pyridin-3-yl]methanamine dihydrochloride,
SCHEMBL4456204,
XRJFAOSMGPIFLC-UHFFFAOYSA-N,
ZX-AP000212,
AKOS007930451,
PC49039,
AX8264009,
Z-1688,
3-(Aminomethyl)-5-(trifluoromethyl)pyridine dihydrochloride,
[5-(Trifluoromethyl)pyridin-3-yl]methylamine dihydrochloride,
5-(Aminomethyl)-alpha,alpha,alpha-trifluoro-3-picoline dihydrochloride,
C-(5-Trifluoromethyl-pyridin-3-yl)-methylamine dihydrochloride, AldrichCPR,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.058g/mol |
| Monoisotopic Mass | 248.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number