| CAS Number | 1093759-69-3 |
| Catalog Number | AG008TVB(AGN-PC-0WA8KL) |
| Chemical Name | 3-(difluoromethyl)piperidine |
| IUPAC Name | 3-(difluoromethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C6H11F2N.ClH/c7-6(8)5-2-1-3-9-4-5;/h5-6,9H,1-4H2;1H |
| InChI Key | DCSDOLONHQYNBB-UHFFFAOYSA-N |
| MDL Number | MFCD18325187 |
| Molecular Formula | C6H11F2N |
| Molecular Weight | 135.1550 |
| SMILES | FC(C1CNCCC1)F |
| Synonyms | 3-Difluoromethylpiperidine HCl,
1093759-69-3,
3-Difluoromethylpiperidine hydrochloride,
3-(difluoromethyl)piperidine hydrochloride,
1427455-16-0,
W-204718,
DTXSID60693518,
HT034,
MFCD18325187,
AKOS015907446,
CS-W001291,
QC-3804,
RP08575,
PC430320,
FT-0686025,
Z7262,
J-512395,
I14-20361,
3-(Difluoromethyl)piperidine--hydrogen chloride (1/1),
1093759-69-3 3-(difluoromethyl)piperidine hydrochloride,
C6H11F2N.HCl,
|
| Complexity | 85.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.616g/mol |
| Monoisotopic Mass | 171.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number