| CAS Number | 17258-52-5 |
| Catalog Number | AG019XPI(AGN-PC-013PGW) |
| Chemical Name | 3-(3-Methylbutoxy)aniline |
| IUPAC Name | 3-(3-methylbutoxy)aniline |
| InChI | InChI=1S/C11H17NO/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7,12H2,1-2H3 |
| InChI Key | HIZQGOGXVNCCEG-UHFFFAOYSA-N |
| MDL Number | MFCD06800852 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC(CCOC1=CC(N)=CC=C1)C |
| Synonyms | 3-(3-methylbutoxy)aniline,
17258-52-5,
3-(ISOPENTYLOXY)ANILINE,
AC1Q1PGN,
3-(3-methylbutoxy)phenylamine,
ARONIS023708,
3-(3-methylbutoxy)-benzenamine,
SCHEMBL10187328,
CTK6A8017,
DTXSID10586380,
SBB080013,
STL068935,
ZINC12403762,
AKOS000150766,
MCULE-8395912139,
NE13447,
NCGC00337603-01,
EN300-55710,
AB01328900-02,
Z839522566,
|
| Complexity | 136 |
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number