| CAS Number | 541547-36-8 |
| Catalog Number | AG00DBAL(AGN-PC-005E70) |
| Chemical Name | ethyl 3-(dibenzylamino)-2,2-difluoropropanoate |
| IUPAC Name | ethyl 3-(dibenzylamino)-2,2-difluoropropanoate |
| InChI | InChI=1S/C19H21F2NO2/c1-2-24-18(23)19(20,21)15-22(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3 |
| InChI Key | VZBXWYDVDVKRLV-UHFFFAOYSA-N |
| MDL Number | MFCD20502283 |
| Molecular Formula | C19H21F2NO2 |
| Molecular Weight | 333.3723 |
| SMILES | C(C1=CC=CC=C1)N(CC(C(=O)OCC)(F)F)CC1=CC=CC=C1 |
| Synonyms | ethyl 3-(dibenzylamino)-2,2-difluoropropanoate,
541547-36-8,
SCHEMBL758923,
VZBXWYDVDVKRLV-UHFFFAOYSA-N,
CS-D0523,
MFCD20502283,
AKOS027425925,
ZINC114528533,
KS-00000M41,
AK479441,
DS-18906,
2,2-Difluoro-3-(dibenzylamino)propionic acid ethyl ester,
CID11256065,
Ethyl 3-(dibenzylamino)-2,2-difluoro-propanoate,
3-Dibenzylamino-2,2-difluoro-propionic acid ethyl ester,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.379g/mol |
| Monoisotopic Mass | 333.154g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number