| CAS Number | 832753-69-2 |
| Catalog Number | AG019YQF(AGN-PC-0A99W7) |
| Chemical Name | [3-(trifluoromethyl)cyclohexyl]methanamine |
| IUPAC Name | [3-(trifluoromethyl)cyclohexyl]methanamine |
| InChI | InChI=1S/C8H14F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h6-7H,1-5,12H2 |
| InChI Key | WCQDDUFZBFJYIO-UHFFFAOYSA-N |
| MDL Number | MFCD04973003 |
| Molecular Formula | C8H14F3N |
| Molecular Weight | 181.1987 |
| SMILES | NCC1CC(C(F)(F)F)CCC1 |
| Synonyms | [3-(trifluoromethyl)cyclohexyl]methanamine,
832753-69-2,
[3-(Trifluoromethyl)cyclohexyl]methylamine,
SCHEMBL5738234,
WCQDDUFZBFJYIO-UHFFFAOYSA-N,
MFCD04973003,
AKOS006295182,
MCULE-7537787784,
NE53036,
RP24244,
(3-Trifluoromethyl-cyclohexyl)-methylamine,
(3-(trifluoromethyl)-cyclohexyl)-methylamine, AldrichCPR,
Z1365534272,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.202g/mol |
| Monoisotopic Mass | 181.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number