| CAS Number | 1094783-71-7 |
| Catalog Number | AG01BA18 |
| Chemical Name | [4-(3-methoxypropoxy)phenyl]methanamine |
| IUPAC Name | [4-(3-methoxypropoxy)phenyl]methanamine |
| InChI | InChI=1S/C11H17NO2/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6H,2,7-9,12H2,1H3 |
| InChI Key | DONXVVIPTWDLSB-UHFFFAOYSA-N |
| MDL Number | MFCD11620912 |
| Molecular Formula | C11H17NO2 |
| Molecular Weight | 195.2582 |
| SMILES | COCCCOC1=CC=C(CN)C=C1 |
| Synonyms | [4-(3-methoxypropoxy)phenyl]methanamine,
1094783-71-7,
4-(3-methoxypropoxy)benzylamine,
ZINC37050769,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.262g/mol |
| Monoisotopic Mass | 195.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number