| CAS Number | 41286-42-4 |
| Catalog Number | AG01FCGV(AGN-PC-0L0N8N) |
| Chemical Name | N1-Methyl-N-4-phenylbenzene-1,4-diamine |
| IUPAC Name | 1-N-methyl-4-N-phenylbenzene-1,4-diamine |
| InChI | InChI=1S/C13H14N2/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10,14-15H,1H3 |
| InChI Key | GYXXGCCWYRAYGT-UHFFFAOYSA-N |
| MDL Number | MFCD00835269 |
| Molecular Formula | C13H14N2 |
| Molecular Weight | 198.2637 |
| SMILES | N(C1=CC=CC=C1)C1C=CC(=CC=1)NC |
| Synonyms | N1-Methyl-N-4-phenylbenzene-1,4-diamine,
41286-42-4,
1,4-Benzenediamine, N-methyl-N'-phenyl-,
AC1MY8WE,
Oprea1_138502,
SCHEMBL784987,
CTK1C9049,
DTXSID50396980,
ZINC5329171,
AKOS023703957,
N-Phenyl-N'-methylbenzene-1,4-diamine,
1-N-methyl-4-N-phenylbenzene-1,4-diamine,
CID3828023,
N'-methyl-N-phenyl-benzene-1,4-diamine,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.269g/mol |
| Monoisotopic Mass | 198.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number