| CAS Number | 76754-70-6 |
| Catalog Number | AG01BV9K(AGN-PC-0LGXEB) |
| Chemical Name | N1-(3-methoxyphenyl)benzene-1,4-diamine |
| IUPAC Name | 4-N-(3-methoxyphenyl)benzene-1,4-diamine |
| InChI | InChI=1S/C13H14N2O/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,14H2,1H3 |
| InChI Key | HKUTXVKTVXDDRO-UHFFFAOYSA-N |
| MDL Number | MFCD07429552 |
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.2631 |
| SMILES | COC1=CC(NC2=CC=C(N)C=C2)=CC=C1 |
| Synonyms | N1-(3-methoxyphenyl)benzene-1,4-diamine,
76754-70-6,
AC1NHEB2,
SCHEMBL6051261,
HKUTXVKTVXDDRO-UHFFFAOYSA-N,
ZINC7276274,
AKOS000286377,
4-N-(3-methoxyphenyl)benzene-1,4-diamine,
N-(3-methoxy-phenyl)-benzene-1,4-diamine,
CID4764089,
N-(3-methoxyphenyl)benzene-1,4-diamine,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.268g/mol |
| Monoisotopic Mass | 214.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number