| CAS Number | 87341-57-9 |
| Catalog Number | AG00J2PQ(AGN-PC-0OKYA4) |
| Chemical Name | (S)-(1-(4-Methylbenzyl)pyrrolidin-2-yl)methanol |
| IUPAC Name | [1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]methanol |
| InChI | InChI=1S/C13H19NO/c1-11-4-6-12(7-5-11)9-14-8-2-3-13(14)10-15/h4-7,13,15H,2-3,8-10H2,1H3 |
| InChI Key | XSYGFTHHPAOYJI-UHFFFAOYSA-N |
| MDL Number | MFCD21364407 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | N1(CCC[C@H]1CO)CC1C=CC(=CC=1)C |
| Synonyms | 884497-39-6,
[1-(4-Methylbenzyl)-2-pyrrolidinyl]methanol,
(S)-(1-(4-Methylbenzyl)pyrrolidin-2-yl)methanol,
87341-57-9,
AC1MPLF9,
[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]methanol,
MFCD05863657,
AKOS011291468,
(1-(4-Methylbenzyl)pyrrolidin-2-yl) methanol,
CID3387133,
[1-(4-methylbenzyl)pyrrolidin-2-yl]methanol,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number