| CAS Number | 847224-60-6 |
| Catalog Number | AG01AY4W(AGN-PC-05DD2M) |
| Chemical Name | 4-methoxy-N-(3-methylbutyl)aniline |
| IUPAC Name | 4-methoxy-N-(3-methylbutyl)aniline |
| InChI | InChI=1S/C12H19NO/c1-10(2)8-9-13-11-4-6-12(14-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3 |
| InChI Key | FSJPCHUXEINIFX-UHFFFAOYSA-N |
| MDL Number | MFCD11147319 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | COC1=CC=C(NCCC(C)C)C=C1 |
| Synonyms | 4-methoxy-N-(3-methylbutyl)aniline,
847224-60-6,
N-(4-methoxyphenyl)-N-(3-methylbutyl)amine,
SCHEMBL7794123,
N-(3-Methylbutyl)-4-methoxyaniline,
ZINC19964721,
AKOS000241747,
NE14993,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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