| CAS Number | 1375068-69-1 |
| Catalog Number | AG007LJ1(AGN-PC-0J2CA8) |
| Chemical Name | 2-Butoxy-3-methylaniline |
| IUPAC Name | 2-butoxy-3-methylaniline |
| InChI | InChI=1S/C11H17NO/c1-3-4-8-13-11-9(2)6-5-7-10(11)12/h5-7H,3-4,8,12H2,1-2H3 |
| InChI Key | PLAKKGDMLKSGCE-UHFFFAOYSA-N |
| MDL Number | MFCD22205731 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CCCCOC1=C(N)C=CC=C1C |
| Synonyms | 2-Butoxy-3-methylaniline,
1375068-69-1,
ACMC-209cct,
CTK8B0637,
DTXSID20742970,
ANW-20283,
MFCD22205731,
ZINC85477202,
AKOS020145701,
CJ-22448,
TC-109028,
V2729,
B-9044,
C11H17NO,
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| Complexity | 138 |
| 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 | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number