| CAS Number | 1179140-48-7 |
| Catalog Number | AG0096HN(AGN-PC-0WCR4N) |
| Chemical Name | 2-((2-Aminoethylamino)methyl)-4,6-dichlorophenol |
| IUPAC Name | 2-[(2-aminoethylamino)methyl]-4,6-dichlorophenol |
| InChI | InChI=1S/C9H12Cl2N2O/c10-7-3-6(5-13-2-1-12)9(14)8(11)4-7/h3-4,13-14H,1-2,5,12H2 |
| InChI Key | CBHOZLSOMBNGMR-UHFFFAOYSA-N |
| MDL Number | MFCD12765630 |
| Molecular Formula | C9H12Cl2N2O |
| Molecular Weight | 235.1104 |
| SMILES | NCCNCC1=C(O)C(Cl)=CC(Cl)=C1 |
| Synonyms | 2-((2-AMINOETHYLAMINO)METHYL)-4,6-DICHLOROPHENOL,
1179140-48-7,
DTXSID90716845,
MFCD12765630,
ZINC37712497,
AKOS006035181,
AS-30601,
BBV-32092724,
AB0070938,
2-((2-aminoethylamino)methyl)-4;6-dichlorophenol,
2-{[(2-AMINOETHYL)AMINO]METHYL}-4,6-DICHLOROPHENOL,
6-dichlorophenol,
2-((2-aminoethylamino)methyl)-4,6-dichlorophenol, 95% - 1G 1g,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.108g/mol |
| Monoisotopic Mass | 234.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number