| CAS Number | 120570-67-4 |
| Catalog Number | AG01A1BL(AGN-PC-0O06CF) |
| Chemical Name | 4-(2-methylpropyl)aniline hydrochloride |
| IUPAC Name | 4-(2-methylpropyl)aniline;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c1-8(2)7-9-3-5-10(11)6-4-9;/h3-6,8H,7,11H2,1-2H3;1H |
| InChI Key | UTCFJKHTXFCRIG-UHFFFAOYSA-N |
| MDL Number | MFCD22392239 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| SMILES | Cl.CC(CC1=CC=C(N)C=C1)C |
| Synonyms | 4-(2-methylpropyl)aniline hydrochloride,
120570-67-4,
AKOS016903741,
MCULE-6590394296,
NE43991,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.695g/mol |
| Monoisotopic Mass | 185.097g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number