| CAS Number | 743449-54-9 |
| Catalog Number | AG01BE6F(AGN-PC-03E1O9) |
| Chemical Name | N1-(pyrimidin-2-yl)benzene-1,4-diamine |
| IUPAC Name | 4-N-pyrimidin-2-ylbenzene-1,4-diamine |
| InChI | InChI=1S/C10H10N4/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14) |
| InChI Key | UEXQBEVWFZKHNB-UHFFFAOYSA-N |
| MDL Number | MFCD09934641 |
| Molecular Formula | C10H10N4 |
| Molecular Weight | 186.2132 |
| SMILES | NC1=CC=C(NC2=NC=CC=N2)C=C1 |
| Synonyms | 1-N-(pyrimidin-2-yl)benzene-1,4-diamine,
743449-54-9,
1,4-Benzenediamine, N1-2-pyrimidinyl-,
SCHEMBL4583809,
UEXQBEVWFZKHNB-UHFFFAOYSA-N,
ZINC13356529,
AKOS000178671,
N-Pyrimidin-2-ylbenzene-1,4-diamine,
NE29452,
N-(pyrimidin-2-yl) benzene-1,4-diamine,
N1-(pyrimidin-2-yl)benzene-1,4-diamine,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.218g/mol |
| Monoisotopic Mass | 186.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number