| CAS Number | 1184413-15-7 |
| Catalog Number | AG01A001(AGN-PC-0WOAFI) |
| Chemical Name | 3-Methyl-1-(pyridin-2-yl)butan-1-ol |
| IUPAC Name | 3-methyl-1-pyridin-2-ylbutan-1-ol |
| InChI | InChI=1S/C10H15NO/c1-8(2)7-10(12)9-5-3-4-6-11-9/h3-6,8,10,12H,7H2,1-2H3 |
| InChI Key | QRULRYIURNCGOW-UHFFFAOYSA-N |
| MDL Number | MFCD12153513 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | CC(CC(C1=NC=CC=C1)O)C |
| Synonyms | 3-methyl-1-(pyridin-2-yl)butan-1-ol,
1184413-15-7,
SCHEMBL12197899,
AKOS010015586,
MCULE-2541830396,
NE41909,
RP22829,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.236g/mol |
| Monoisotopic Mass | 165.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number