| CAS Number | 827328-86-9 |
| Catalog Number | AG00ID9B(AGN-PC-0WO45I) |
| Chemical Name | 2-[(Cyclopentylamino)methyl]phenol |
| IUPAC Name | 2-[(cyclopentylamino)methyl]phenol |
| InChI | InChI=1S/C12H17NO/c14-12-8-4-1-5-10(12)9-13-11-6-2-3-7-11/h1,4-5,8,11,13-14H,2-3,6-7,9H2 |
| InChI Key | AYELNOWOKIVIKO-UHFFFAOYSA-N |
| MDL Number | MFCD11139824 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | OC1=C(CNC2CCCC2)C=CC=C1 |
| Synonyms | 2-[(cyclopentylamino)methyl]phenol,
827328-86-9,
AC1N6YJB,
ZINC6322916,
STK131025,
AKOS000226842,
MCULE-6617571969,
NE38237,
EN300-73962,
CID4242598,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number