| CAS Number | 1096333-56-0 |
| Catalog Number | AG01ABEO(AGN-PC-0WO2V3) |
| Chemical Name | 1-(2,4-Difluorophenyl)pyrrolidin-3-amine |
| IUPAC Name | 1-(2,4-difluorophenyl)pyrrolidin-3-amine |
| InChI | InChI=1S/C10H12F2N2/c11-7-1-2-10(9(12)5-7)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2 |
| InChI Key | SHDSNDAKQXUVAL-UHFFFAOYSA-N |
| MDL Number | MFCD11640823 |
| Molecular Formula | C10H12F2N2 |
| Molecular Weight | 198.2125 |
| SMILES | NC1CN(C2=C(F)C=C(F)C=C2)CC1 |
| Synonyms | 1-(2,4-difluorophenyl)pyrrolidin-3-amine,
1096333-56-0,
AC1Q53GV,
AKOS008129059,
MCULE-9134984153,
NE47818,
EN300-71408,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.217g/mol |
| Monoisotopic Mass | 198.097g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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