| CAS Number | 2102412-76-8 |
| Catalog Number | AG00IKOX(AGN-PC-0WRAKM) |
| Chemical Name | 1-(2,2-Difluoroethyl)azetidin-3-amine, bis(trifluoroacetic acid) |
| IUPAC Name | 1-(2,2-difluoroethyl)azetidin-3-amine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H10F2N2.2C2HF3O2/c6-5(7)3-9-1-4(8)2-9;2*3-2(4,5)1(6)7/h4-5H,1-3,8H2;2*(H,6,7) |
| InChI Key | QABCMBMGPNRWRJ-UHFFFAOYSA-N |
| MDL Number | MFCD29060170 |
| Molecular Formula | C9H12F8N2O4 |
| Molecular Weight | 364.1898 |
| SMILES | OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.FC(CN1CC(C1)N)F |
| Synonyms | 1-(2,2-difluoroethyl)azetidin-3-amine; bis(trifluoroacetic acid),
2102412-76-8,
AS-53902,
CS-0052920,
1-(2,2-difluoroethyl)azetidin-3-amine bis(trifluoroacetic acid),
1-(2,2-Difluoroethyl)azetidin-3-amine, bis(trifluoroacetic acid),
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.192g/mol |
| Monoisotopic Mass | 364.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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