| CAS Number | 851773-48-3 |
| Catalog Number | AG019UH0(AGN-PC-02MWJK) |
| Chemical Name | (2-Isopropoxypyridin-3-yl)methanamine |
| IUPAC Name | (2-propan-2-yloxypyridin-3-yl)methanamine |
| InChI | InChI=1S/C9H14N2O/c1-7(2)12-9-8(6-10)4-3-5-11-9/h3-5,7H,6,10H2,1-2H3 |
| InChI Key | WVDJPTOJLZXHJV-UHFFFAOYSA-N |
| MDL Number | MFCD09805846 |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.2203 |
| SMILES | C(C)(C)OC1=NC=CC=C1CN |
| Synonyms | [2-(propan-2-yloxy)pyridin-3-yl]methanamine,
851773-48-3,
(2-isopropoxypyridin-3-yl)methanamine,
[(2-isopropoxypyridin-3-yl)methyl]amine,
AC1Q1QMD,
SCHEMBL4477933,
WVDJPTOJLZXHJV-UHFFFAOYSA-N,
3-aminomethyl-2-isopropoxy-pyridine,
ZINC19398401,
AKOS000163489,
MCULE-8090958389,
EN300-41633,
L-4361,
F2147-1547,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.224g/mol |
| Monoisotopic Mass | 166.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number