| CAS Number | 879222-62-5 |
| Catalog Number | AG00H401(AGN-PC-05EJ6R) |
| Chemical Name | 3-chloro-4-[(dimethylamino)methyl]aniline |
| IUPAC Name | 3-chloro-4-[(dimethylamino)methyl]aniline |
| InChI | InChI=1S/C9H13ClN2/c1-12(2)6-7-3-4-8(11)5-9(7)10/h3-5H,6,11H2,1-2H3 |
| InChI Key | HJCJVQCBYAVWMG-UHFFFAOYSA-N |
| MDL Number | MFCD10021509 |
| Molecular Formula | C9H13ClN2 |
| Molecular Weight | 184.6659 |
| SMILES | CN(CC1=C(Cl)C=C(N)C=C1)C |
| Synonyms | 3-chloro-4-[(dimethylamino)methyl]aniline,
879222-62-5,
3-chloro-4-((dimethylamino)methyl)aniline,
SCHEMBL3197622,
HJCJVQCBYAVWMG-UHFFFAOYSA-N,
ZINC20192736,
AKOS011243660,
MCULE-5981106954,
DA-40909,
3-chloro-4-dimethylaminomethyl-phenylamine,
FT-0744286,
Z1945706180,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.667g/mol |
| Monoisotopic Mass | 184.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number