| CAS Number | 1049728-25-7 |
| Catalog Number | AG00J3D2(AGN-PC-0WB7KJ) |
| Chemical Name | 3-(4-methylphenyl)aniline, HCl |
| IUPAC Name | 3-(4-methylphenyl)aniline;hydrochloride |
| InChI | InChI=1S/C13H13N.ClH/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;/h2-9H,14H2,1H3;1H |
| InChI Key | GIHOTHMRRYLUGK-UHFFFAOYSA-N |
| MDL Number | MFCD06656009 |
| Molecular Formula | C13H14ClN |
| Molecular Weight | 219.7100 |
| SMILES | C1(C=CC=C(N)C=1)C1C=CC(=CC=1)C.Cl |
| Synonyms | 1049728-25-7,
4'-methylbiphenyl-3-ylamine hydrochloride,
(4'-Methyl-3-biphenylyl)amine hydrochloride,
4'-Methyl-[1,1'-biphenyl]-3-amine hydrochloride,
3-(4-methylphenyl)aniline Hydrochloride,
AC1MC1A5,
CTK6B8066,
ZX-CM014450,
MFCD06656009,
AKOS024396845,
MCULE-3342936576,
4'-Methyl-biphenyl-3-ylamine hydrochloride,
4'-methyl-biphenyl-3-ylamine, hydrochloride,
CID2759819,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.712g/mol |
| Monoisotopic Mass | 219.081g/mol |
| Rotatable Bond Count | 1 |
| 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