| CAS Number | 1179161-54-6 |
| Catalog Number | AG01AP3G |
| Chemical Name | [1-(benzylamino)cyclopentyl]methanol |
| IUPAC Name | [1-(benzylamino)cyclopentyl]methanol |
| InChI | InChI=1S/C13H19NO/c15-11-13(8-4-5-9-13)14-10-12-6-2-1-3-7-12/h1-3,6-7,14-15H,4-5,8-11H2 |
| InChI Key | FUJHOATVHDDNBA-UHFFFAOYSA-N |
| MDL Number | MFCD12826134 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | OCC1(NCC2=CC=CC=C2)CCCC1 |
| Synonyms | [1-(benzylamino)cyclopentyl]methanol,
1179161-54-6,
ZINC38110824,
|
| Complexity | 181 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number