| CAS Number | 76754-71-7 |
| Catalog Number | AG01BV8L(AGN-PC-03S0SY) |
| Chemical Name | N1-(4-methoxyphenyl)benzene-1,3-diamine |
| IUPAC Name | 3-N-(4-methoxyphenyl)benzene-1,3-diamine |
| InChI | InChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9,15H,14H2,1H3 |
| InChI Key | BRZXJWAHJSCNOG-UHFFFAOYSA-N |
| MDL Number | MFCD11132756 |
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.2631 |
| SMILES | COC1=CC=C(NC2=CC(N)=CC=C2)C=C1 |
| Synonyms | N1-(4-methoxyphenyl)benzene-1,3-diamine,
76754-71-7,
SCHEMBL4598738,
ZINC36720364,
AKOS009290482,
Z2678251397,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.110613g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.26g/mol |
| Monoisotopic Mass | 214.110613g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number