| CAS Number | 1391407-62-7 |
| Catalog Number | AG001ADV(AGN-PC-0WAM9C) |
| Chemical Name | Pyrrolidine, 2-[4-(trifluoromethyl)phenyl]-, hydrochloride (1:1), (2R)- |
| IUPAC Name | (2R)-2-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10;/h3-6,10,15H,1-2,7H2;1H/t10-;/m1./s1 |
| InChI Key | XHVVDNXOJJAMDE-HNCPQSOCSA-N |
| MDL Number | MFCD08751409 |
| Molecular Formula | C11H13ClF3N |
| Molecular Weight | 251.6758 |
| SMILES | FC(C1=CC=C([C@@H]2NCCC2)C=C1)(F)F.[H]Cl |
| Synonyms | (r)-2-(4-(trifluoromethyl)phenyl)pyrrolidine hydrochloride,
1391407-62-7,
AK172669,
KS-000026DS,
MFCD08751409,
AKOS025395728,
GS-7172,
KS-00000T05,
AX8296769,
(R)-2-(4-(Trifluoromethyl)phenyl)pyrrolidine HCl,
(2R)-2-[4-(trifluoromethyl)phenyl]pyrrolidine hydrochloride,
Pyrrolidine, 2-[4-(trifluoromethyl)phenyl]-, hydrochloride (1:1), (2R)-,
XHVVDNXOJJAMDE-HNCPQSOCSA-N,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.677g/mol |
| Monoisotopic Mass | 251.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number