| CAS Number | 1443979-55-2 |
| Catalog Number | AG01A5I5 |
| Chemical Name | {[2-(3-aminopropoxy)ethoxy]methyl}benzene |
| IUPAC Name | 3-(2-phenylmethoxyethoxy)propan-1-amine |
| InChI | InChI=1S/C12H19NO2/c13-7-4-8-14-9-10-15-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,13H2 |
| InChI Key | HVYOWVSQBQKPSQ-UHFFFAOYSA-N |
| MDL Number | MFCD24842911 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | NCCCOCCOCC1=CC=CC=C1 |
| Synonyms | {[2-(3-aminopropoxy)ethoxy]methyl}benzene,
1443979-55-2,
ZINC95347764,
AKOS033481799,
MCULE-8420230483,
NE23816,
Z1626920971,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number