| CAS Number | 104226-31-5 |
| Catalog Number | AG019W44(AGN-PC-02MVG0) |
| Chemical Name | 1-N-benzyl-1-N-methylbenzene-1,4-diamine |
| IUPAC Name | 4-N-benzyl-4-N-methylbenzene-1,4-diamine |
| InChI | InChI=1S/C14H16N2/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3 |
| InChI Key | IHDXFVHLQONBFX-UHFFFAOYSA-N |
| MDL Number | MFCD07365102 |
| Molecular Formula | C14H16N2 |
| Molecular Weight | 212.2902 |
| SMILES | C(C1=CC=CC=C1)N(C1=CC=C(C=C1)N)C |
| Synonyms | 1-N-benzyl-1-N-methylbenzene-1,4-diamine,
104226-31-5,
N1-Benzyl-N1-methylbenzene-1,4-diamine,
AC1Q3XDR,
SCHEMBL6606938,
CTK7D7524,
ZINC19392177,
AKOS000159465,
MCULE-4742196210,
NE13623,
N-benzyl-N-methyl-benzene-1,4-diamine,
AJ-73058,
N-1-Benzyl-N-1-methyl-1,4-benzenediamine,
EN300-50471,
Z1259161766,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.296g/mol |
| Monoisotopic Mass | 212.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number