| CAS Number | 73938-86-0 |
| Catalog Number | AG01ADNY(AGN-PC-0NJ8GL) |
| Chemical Name | 4-chloro-N-propylaniline |
| IUPAC Name | 4-chloro-N-propylaniline |
| InChI | InChI=1S/C9H12ClN/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3 |
| InChI Key | PKLDFALGUIOLDX-UHFFFAOYSA-N |
| MDL Number | MFCD03210919 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | CCCNC1=CC=C(Cl)C=C1 |
| Synonyms | 4-chloro-N-propylaniline,
73938-86-0,
Benzenamine, 4-chloro-N-propyl-,
N-propyl-4-chloroaniline,
SCHEMBL1801536,
Benzenamine,4-chloro-N-propyl-,
PKLDFALGUIOLDX-UHFFFAOYSA-N,
ZINC19921276,
AKOS000235162,
MCULE-7223438305,
SC-61710,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.652g/mol |
| Monoisotopic Mass | 169.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number