| CAS Number | 1016706-42-5 |
| Catalog Number | AG01BVRL |
| Chemical Name | 4-[(2-Methoxyethoxy)methyl]aniline |
| IUPAC Name | 4-(2-methoxyethoxymethyl)aniline |
| InChI | InChI=1S/C10H15NO2/c1-12-6-7-13-8-9-2-4-10(11)5-3-9/h2-5H,6-8,11H2,1H3 |
| InChI Key | XPSJNVWRACBZSH-UHFFFAOYSA-N |
| MDL Number | MFCD09803081 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | COCCOCC1=CC=C(N)C=C1 |
| Synonyms | 4-(2-Methoxy-ethoxymethyl)-phenylamine,
4-[(2-METHOXYETHOXY)METHYL]ANILINE,
1016706-42-5,
SCHEMBL12477381,
CTK7B3860,
XPSJNVWRACBZSH-UHFFFAOYSA-N,
ZINC19262910,
AKOS000150258,
A1-08916,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number