| CAS Number | 2100-43-8 |
| Catalog Number | AG01AB44(AGN-PC-0JS94B) |
| Chemical Name | 2-methyl-N-(propan-2-yl)aniline |
| IUPAC Name | 2-methyl-N-propan-2-ylaniline |
| InChI | InChI=1S/C10H15N/c1-8(2)11-10-7-5-4-6-9(10)3/h4-8,11H,1-3H3 |
| InChI Key | NKVWOHIEVZXVGP-UHFFFAOYSA-N |
| MDL Number | MFCD11147414 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | CC(NC1=C(C)C=CC=C1)C |
| Synonyms | 2-methyl-N-(propan-2-yl)aniline,
2100-43-8,
o-Toluidine, N-isopropyl-,
N-Isopropyl-o-toluidine,
2-methyl-isopropylaniline,
AC1LAT6B,
AC1Q1Q9Z,
2-methyl-N-propan-2-ylaniline,
SCHEMBL4750832,
NKVWOHIEVZXVGP-UHFFFAOYSA-N,
ZINC19965031,
AKOS000241810,
MCULE-6596895893,
NE40990,
Benzenamine, 2-methyl-N-(1-methylethyl)-,
EN300-70432,
Z267168760,
N-isopropyl-2-methylaniline,
CID519833,
|
| 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