| CAS Number | 150748-89-3 |
| Catalog Number | AG00AMRH(AGN-PC-0162FP) |
| Chemical Name | 4-butoxy-2-methylaniline |
| IUPAC Name | 4-butoxy-2-methylaniline |
| InChI | InChI=1S/C11H17NO/c1-3-4-7-13-10-5-6-11(12)9(2)8-10/h5-6,8H,3-4,7,12H2,1-2H3 |
| InChI Key | OBQQJOIBIBZNAR-UHFFFAOYSA-N |
| MDL Number | MFCD08687155 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CCCCOC1=CC(C)=C(N)C=C1 |
| Synonyms | 4-butoxy-2-methylaniline,
150748-89-3,
AC1Q2XF2,
SCHEMBL11444520,
CTK6E3322,
OBQQJOIBIBZNAR-UHFFFAOYSA-N,
4673AD,
ZINC14630774,
4-butoxy-2-methylaniline, AldrichCPR,
AKOS000140325,
MCULE-9260994699,
NE19097,
TR-046960,
BB 0241874,
EN300-52272,
Z752989222,
C11H17NO,
N/A,
|
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number