| CAS Number | 1392212-91-7 |
| Catalog Number | AG00IKDP(AGN-PC-0WG34T) |
| Chemical Name | 8-(Trifluoromethyl)chroman-4-amine hydrochloride |
| IUPAC Name | 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride |
| InChI | InChI=1S/C10H10F3NO.ClH/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7;/h1-3,8H,4-5,14H2;1H |
| InChI Key | CZTHXVIPUSKPKD-UHFFFAOYSA-N |
| MDL Number | MFCD08544298 |
| Molecular Formula | C10H11ClF3NO |
| Molecular Weight | 253.6486 |
| SMILES | NC1CCOC2=C1C=CC=C2C(F)(F)F.[H]Cl |
| Synonyms | 8-(Trifluoromethyl)chroman-4-amine hydrochloride,
1392212-91-7,
8-(TRIFLUOROMETHYL)CHROMAN-4-AMINE HCL,
1392219-03-2,
CTK8E0653,
KS-00000OXM,
MFCD08544298,
AKOS022179736,
TRA0021947,
AK-54359,
DS-14462,
8-Trifluoromethyl-chroman-4-ylamine hydrochloride,
8-(Trifluoromethyl)chroman-4-ylamine hydrochloride,
(R)-8-(Trifluoromethyl)chroman-4-amine hydrochloride,
890839-70-0,
155-10-2,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.649g/mol |
| Monoisotopic Mass | 253.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number