| CAS Number | 104226-32-6 |
| Catalog Number | AG019WP6(AGN-PC-01XPG2) |
| Chemical Name | N1-benzyl-2-chlorobenzene-1,4-diamine |
| IUPAC Name | 1-N-benzyl-2-chlorobenzene-1,4-diamine |
| InChI | InChI=1S/C13H13ClN2/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,16H,9,15H2 |
| InChI Key | XFSGBXYTDKQHRA-UHFFFAOYSA-N |
| MDL Number | MFCD11187042 |
| Molecular Formula | C13H13ClN2 |
| Molecular Weight | 232.7087 |
| SMILES | NC1=CC(Cl)=C(NCC2=CC=CC=C2)C=C1 |
| Synonyms | 1-N-benzyl-2-chlorobenzene-1,4-diamine,
104226-32-6,
N1-benzyl-2-chlorobenzene-1,4-diamine,
AC1Q51MH,
SCHEMBL6819625,
CTK7D6595,
ZINC20382266,
AKOS009235971,
MCULE-5440144909,
NE17632,
EN300-52705,
Z802665894,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.711g/mol |
| Monoisotopic Mass | 232.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number