| CAS Number | 697305-72-9 |
| Catalog Number | AG01B7I5(AGN-PC-05EJ46) |
| Chemical Name | 4-Chloro-3-[(dimethylamino)methyl]aniline |
| IUPAC Name | 4-chloro-3-[(dimethylamino)methyl]aniline |
| InChI | InChI=1S/C9H13ClN2/c1-12(2)6-7-5-8(11)3-4-9(7)10/h3-5H,6,11H2,1-2H3 |
| InChI Key | CMEATEQCIZPULA-UHFFFAOYSA-N |
| MDL Number | MFCD10021399 |
| Molecular Formula | C9H13ClN2 |
| Molecular Weight | 184.6659 |
| SMILES | NC1=CC=C(Cl)C(CN(C)C)=C1 |
| Synonyms | 4-chloro-3-[(dimethylamino)methyl]aniline,
697305-72-9,
4-chloro-3-((dimethylamino)methyl)aniline,
4-Chloro-3-dimethylaminomethyl-phenylamine,
SCHEMBL1664066,
CMEATEQCIZPULA-UHFFFAOYSA-N,
ZINC20192468,
(5-amino-2-chlorobenzyl)dimethylamine,
AKOS009357859,
Z1982493908,
|
| 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 | 1.7 |
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Certificate of Analysis
Lot Number