| CAS Number | 1039741-55-3 |
| Catalog Number | AG009KOK(AGN-PC-0WQVQ6) |
| Chemical Name | 1-Benzyl-3,3-difluoropiperidin-4-amine |
| IUPAC Name | 1-benzyl-3,3-difluoropiperidin-4-amine |
| InChI | InChI=1S/C12H16F2N2/c13-12(14)9-16(7-6-11(12)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2 |
| InChI Key | UYGYDHWSKUCHFY-UHFFFAOYSA-N |
| MDL Number | MFCD18433632 |
| Molecular Formula | C12H16F2N2 |
| Molecular Weight | 226.2656 |
| SMILES | FC1(CN(CCC1N)CC1=CC=CC=C1)F |
| Synonyms | 1-benzyl-3,3-difluoropiperidin-4-amine,
1039741-55-3,
1-Benzyl-3,3-difluoro-piperidin-4-ylamine,
SCHEMBL2227146,
UYGYDHWSKUCHFY-UHFFFAOYSA-N,
MFCD18433632,
AKOS027384609,
CS-W001283,
FCH2804909,
1-benzyl-3,3-difluoropiperidine-4-amine,
AS-48668,
PC430298,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.271g/mol |
| Monoisotopic Mass | 226.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number