| CAS Number | 1022251-72-4 |
| Catalog Number | AG01DUX8 |
| Chemical Name | 4-Chloro-2-[(dimethylamino)methyl]aniline |
| IUPAC Name | 4-chloro-2-[(dimethylamino)methyl]aniline |
| InChI | InChI=1S/C9H13ClN2/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6,11H2,1-2H3 |
| InChI Key | JIWHLTJWESKDBN-UHFFFAOYSA-N |
| MDL Number | MFCD20702874 |
| Molecular Formula | C9H13ClN2 |
| Molecular Weight | 184.6659 |
| SMILES | CN(CC1=C(N)C=CC(Cl)=C1)C |
| Synonyms | 1022251-72-4,
4-chloro-2-((dimethylamino)methyl)aniline,
4-chloro-2-[(dimethylamino)methyl]aniline,
4-Chloro-2-dimethylaminomethyl-phenylamine,
SCHEMBL1664297,
JIWHLTJWESKDBN-UHFFFAOYSA-N,
AKOS017530291,
A1-09700,
|
| 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