| CAS Number | 626214-45-7 |
| Catalog Number | AG01ABH0(AGN-PC-0WBTTI) |
| Chemical Name | (3-methoxypropyl)[(pyridin-4-yl)methyl]amine |
| IUPAC Name | 3-methoxy-N-(pyridin-4-ylmethyl)propan-1-amine |
| InChI | InChI=1S/C10H16N2O/c1-13-8-2-5-12-9-10-3-6-11-7-4-10/h3-4,6-7,12H,2,5,8-9H2,1H3 |
| InChI Key | AKJLHLSGKCLQSY-UHFFFAOYSA-N |
| MDL Number | MFCD03821899 |
| Molecular Formula | C10H16N2O |
| Molecular Weight | 180.2468 |
| SMILES | COCCCNCC1=CC=NC=C1 |
| Synonyms | (3-Methoxy-propyl)-pyridin-4-ylmethyl-amine,
626214-45-7,
(3-methoxypropyl)(pyridin-4-ylmethyl)amine,
AC1MK8WG,
AC1Q4FUF,
3-methoxy-N-(pyridin-4-ylmethyl)propan-1-amine,
CTK7B3117,
ZINC6136167,
AKOS000567949,
MCULE-1111675152,
(3-methoxypropyl)(4-pyridylmethyl)amine,
TR-041739,
ST50370633,
(3-Methoxypropyl)[(pyridin-4-yl)methyl]amine,
EN300-71606,
Z-2275,
CID3153474,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.251g/mol |
| Monoisotopic Mass | 180.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number