| CAS Number | 4750-61-2 |
| Catalog Number | AG019X0E(AGN-PC-0N7VU8) |
| Chemical Name | N-[(4-chlorophenyl)methyl]aniline |
| IUPAC Name | N-[(4-chlorophenyl)methyl]aniline |
| InChI | InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15H,10H2 |
| InChI Key | JCVWTDNFPZCYRM-UHFFFAOYSA-N |
| MDL Number | MFCD03210840 |
| Molecular Formula | C13H12ClN |
| Molecular Weight | 217.6941 |
| SMILES | ClC1=CC=C(CNC2=CC=CC=C2)C=C1 |
| Synonyms | N-[(4-chlorophenyl)methyl]aniline,
4750-61-2,
N-(4-chlorobenzyl)aniline,
AC1Q3JIX,
Oprea1_040068,
SCHEMBL588222,
ZINC8701816,
MFCD03210840,
STL355867,
AKOS000222956,
MCULE-9777493864,
NE33456,
EN300-53690,
Z57750270,
Benzenemethanamine, 4-chloro-N-phenyl-,
CID10632581,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.696g/mol |
| Monoisotopic Mass | 217.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number