| CAS Number | 861341-86-8 |
| Catalog Number | AG01BU64 |
| Chemical Name | 4-chloro-n3,n3-dimethyl-1,3-benzenediamine |
| IUPAC Name | 4-chloro-3-N,3-N-dimethylbenzene-1,3-diamine |
| InChI | InChI=1S/C8H11ClN2/c1-11(2)8-5-6(10)3-4-7(8)9/h3-5H,10H2,1-2H3 |
| InChI Key | PEPDSSVIPHINAB-UHFFFAOYSA-N |
| MDL Number | MFCD11934614 |
| Molecular Formula | C8H11ClN2 |
| Molecular Weight | 170.6393 |
| SMILES | CN(C1=C(Cl)C=CC(N)=C1)C |
| Synonyms | 6-chloro-N1,N1-dimethylbenzene-1,3-diamine,
861341-86-8,
4-chloro-N3,N3-dimethyl-m-phenylenediamine,
SCHEMBL2258320,
ZINC32006608,
AKOS017518298,
Z2785965526,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.64g/mol |
| Monoisotopic Mass | 170.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number