| CAS Number | 188878-41-3 |
| Catalog Number | AG00AVE3 |
| Chemical Name | N-Methyl-3-(phenylmethoxy)-1-propanamine |
| IUPAC Name | N-methyl-3-phenylmethoxypropan-1-amine |
| InChI | InChI=1S/C11H17NO/c1-12-8-5-9-13-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3 |
| InChI Key | DZDNRHCCFHRCOY-UHFFFAOYSA-N |
| MDL Number | MFCD16662989 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CNCCCOCc1ccccc1 |
| Synonyms | 188878-41-3,
3-(benzyloxy)-N-methylpropan-1-amine,
(3-benzyloxy-propyl)-methyl-amine,
[3-(benzyloxy)propyl](methyl)amine,
SCHEMBL6041506,
DZDNRHCCFHRCOY-UHFFFAOYSA-N,
ZINC49900763,
AKOS009083511,
Z164328298,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number