| CAS Number | 1016752-74-1 |
| Catalog Number | AG01A1XV(AGN-PC-0WCN3G) |
| Chemical Name | (2-Isopropoxypyridin-4-yl)methanamine |
| IUPAC Name | (2-propan-2-yloxypyridin-4-yl)methanamine |
| InChI | InChI=1S/C9H14N2O/c1-7(2)12-9-5-8(6-10)3-4-11-9/h3-5,7H,6,10H2,1-2H3 |
| InChI Key | QMZPLCOKXAKKSW-UHFFFAOYSA-N |
| MDL Number | MFCD09804003 |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.2203 |
| SMILES | CC(OC1=NC=CC(CN)=C1)C |
| Synonyms | [2-(propan-2-yloxy)pyridin-4-yl]methanamine,
1016752-74-1,
(2-isopropoxypyridin-4-yl)methanamine,
[(2-isopropoxypyridin-4-yl)methyl]amine,
ZINC19273654,
AKOS000151777,
MCULE-6707928544,
L-4360,
F2147-1551,
Z1891776421,
(2-propan-2-yloxypyridin-4-yl)methanamine,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.110613g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.110613g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number