| CAS Number | 1020253-07-9 |
| Catalog Number | AG0006DB(AGN-PC-07XTTH) |
| Chemical Name | 4-(Pyrrolidin-1-yl)-8-(trifluoromethyl)quinoline |
| IUPAC Name | 4-pyrrolidin-1-yl-8-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C14H13F3N2/c15-14(16,17)11-5-3-4-10-12(6-7-18-13(10)11)19-8-1-2-9-19/h3-7H,1-2,8-9H2 |
| InChI Key | QBELIDNIHJNJQQ-UHFFFAOYSA-N |
| MDL Number | MFCD09972163 |
| Molecular Formula | C14H13F3N2 |
| Molecular Weight | 266.2616 |
| SMILES | FC(C1=C2N=CC=C(N3CCCC3)C2=CC=C1)(F)F |
| Synonyms | 4-(PYRROLIDIN-1-YL)-8-(TRIFLUOROMETHYL)QUINOLINE,
1020253-07-9,
ACMC-2097za,
CTK4A0593,
DTXSID30674399,
ANW-14612,
MFCD09972163,
ZINC38536980,
AKOS015854151,
RTR-000518,
AX8230258,
ST2405472,
TR-000518,
Z6479,
A-4170,
I08-668,
Quinoline, 4-(1-pyrrolidinyl)-8-(trifluoromethyl)-,
C14H13F3N2,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.267g/mol |
| Monoisotopic Mass | 266.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 16.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number