| CAS Number | 17272-84-3 |
| Catalog Number | AG00J1MF(AGN-PC-0WB7BZ) |
| Chemical Name | N-benzyl-1,4-benzenediamine dihydrochloride |
| IUPAC Name | 4-N-benzylbenzene-1,4-diamine;dihydrochloride |
| InChI | InChI=1S/C13H14N2.2ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;;/h1-9,15H,10,14H2;2*1H |
| InChI Key | NDFNHMQPNTWEKI-UHFFFAOYSA-N |
| MDL Number | MFCD00156566 |
| Molecular Formula | C13H16Cl2N2 |
| Molecular Weight | 271.1855 |
| SMILES | N(CC1=CC=CC=C1)C1=CC=C(C=C1)N.Cl.Cl |
| Synonyms | 17272-84-3,
N-Benzyl-1,4-benzenediamine dihydrochloride,
AC1Q3ARX,
N-BENZYL-1,4-PHENYLENEDIAMINE DIHYDROCHLORIDE,
ZX-CM005138,
MFCD00156566,
AKOS024325128,
MCULE-8956682101,
1-N-benzylbenzene-1,4-diamine dihydrochloride,
N1-Benzylbenzene-1,4-diamine dihydrochloride,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.185g/mol |
| Monoisotopic Mass | 270.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number