| CAS Number | 80420-88-8 |
| Catalog Number | AG01AMBZ(AGN-PC-0MYFMC) |
| Chemical Name | 4-(Pyridin-4-yl)benzene-1,2-diamine |
| IUPAC Name | 4-pyridin-4-ylbenzene-1,2-diamine |
| InChI | InChI=1S/C11H11N3/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-7H,12-13H2 |
| InChI Key | BOZAGTUANUIVTL-UHFFFAOYSA-N |
| MDL Number | MFCD20693678 |
| Molecular Formula | C11H11N3 |
| Molecular Weight | 185.2251 |
| SMILES | N1=CC=C(C=C1)C=1C=C(C(=CC1)N)N |
| Synonyms | 4-(pyridin-4-yl)benzene-1,2-diamine,
80420-88-8,
4-(4-Pyridinyl)-1,2-benzenediamine,
SCHEMBL1519447,
BOZAGTUANUIVTL-UHFFFAOYSA-N,
4-(4-Pyridyl)benzene-1,2-diamine,
ZINC34179905,
AKOS022641957,
Z2216296909,
4-pyridin-4-ylbenzene-1,2-diamine,
CID10081113,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.23g/mol |
| Monoisotopic Mass | 185.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number