| CAS Number | 117802-45-6 |
| Catalog Number | AG019XJH(AGN-PC-000WNC) |
| Chemical Name | N-methyl-3-(propan-2-yl)aniline |
| IUPAC Name | N-methyl-3-propan-2-ylaniline |
| InChI | InChI=1S/C10H15N/c1-8(2)9-5-4-6-10(7-9)11-3/h4-8,11H,1-3H3 |
| InChI Key | SEIVPRPKTCSIQM-UHFFFAOYSA-N |
| MDL Number | MFCD09744932 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | CC(C)C1=CC(=CC=C1)NC |
| Synonyms | N-methyl-3-(propan-2-yl)aniline,
117802-45-6,
3-ISOPROPYL-N-METHYLBENZENAMINE,
AC1Q40WW,
SCHEMBL1426164,
CTK6I4886,
SEIVPRPKTCSIQM-UHFFFAOYSA-N,
ZINC20360484,
AKOS004912252,
MCULE-5033813720,
NE22312,
SC-41285,
EN300-55178,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.237g/mol |
| Monoisotopic Mass | 149.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number