| CAS Number | 78864-00-3 |
| Catalog Number | AG008NLD(AGN-PC-0UDY25) |
| Chemical Name | 2-(3-Methylpiperidin-1-yl)phenol |
| IUPAC Name | 2-(3-methylpiperidin-1-yl)phenol |
| InChI | InChI=1S/C12H17NO/c1-10-5-4-8-13(9-10)11-6-2-3-7-12(11)14/h2-3,6-7,10,14H,4-5,8-9H2,1H3 |
| InChI Key | JOVKPTWSFHQPKT-UHFFFAOYSA-N |
| MDL Number | MFCD00053833 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | CC1CN(C2=C(O)C=CC=C2)CCC1 |
| Synonyms | 2-(3-methylpiperidin-1-yl)phenol,
78864-00-3,
2-(3-METHYLPIPERIDINO)PHENOL,
Phenol,2-(3-methyl-1-piperidinyl)-,
1-(2-HYDROXYPHENYL)-3-METHYLPIPERIDINE,
AC1MDT9U,
AC1Q2R52,
AC1Q2R53,
CTK5E6175,
DTXSID90383652,
MFCD00053833,
AKOS022643800,
MCULE-4783785766,
NE29522,
EN300-71542,
Z1258992486,
ZINC00164285,
CID2795395,
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| Complexity | 183 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number