| CAS Number | 1171447-32-7 |
| Catalog Number | AG019M0O |
| Chemical Name | 3-(4-tert-butylphenyl)aniline hydrochloride |
| IUPAC Name | 3-(4-tert-butylphenyl)aniline;hydrochloride |
| InChI | InChI=1S/C16H19N.ClH/c1-16(2,3)14-9-7-12(8-10-14)13-5-4-6-15(17)11-13;/h4-11H,17H2,1-3H3;1H |
| InChI Key | ZKUQYOCUNPLZQU-UHFFFAOYSA-N |
| MDL Number | MFCD10666931 |
| Molecular Formula | C16H20ClN |
| Molecular Weight | 261.7897 |
| SMILES | Cl.CC(C1=CC=C(C2=CC(N)=CC=C2)C=C1)(C)C |
| Synonyms | 3-(4-tert-butylphenyl)aniline hydrochloride,
1171447-32-7,
4'-tert-butyl-1,1'-biphenyl-3-amine hydrochloride,
AC1Q38YS,
CTK7D8809,
AKOS030689936,
MCULE-4280924259,
NE60182,
EN300-33634,
4'-tert-butyl-[1,1'-biphenyl]-3-amine hydrochloride,
Z361993956,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.793g/mol |
| Monoisotopic Mass | 261.128g/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