| CAS Number | 1021126-49-7 |
| Catalog Number | AG01AK79 |
| Chemical Name | (2-chlorophenyl)(4-ethylphenyl)methanamine |
| IUPAC Name | (2-chlorophenyl)-(4-ethylphenyl)methanamine |
| InChI | InChI=1S/C15H16ClN/c1-2-11-7-9-12(10-8-11)15(17)13-5-3-4-6-14(13)16/h3-10,15H,2,17H2,1H3 |
| InChI Key | ZVCZYSGHYXPOLF-UHFFFAOYSA-N |
| MDL Number | MFCD11148355 |
| Molecular Formula | C15H16ClN |
| Molecular Weight | 245.7472 |
| SMILES | CCC1=CC=C(C(C2=C(Cl)C=CC=C2)N)C=C1 |
| Synonyms | (2-chlorophenyl)(4-ethylphenyl)methanamine,
1021126-49-7,
AKOS000244973,
MCULE-1543608870,
NE51599,
EN300-82897,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.75g/mol |
| Monoisotopic Mass | 245.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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