| CAS Number | 944348-13-4 |
| Catalog Number | AG01A43R |
| Chemical Name | [1-(2,4-Dichlorophenyl)cyclohexyl]methanamine |
| IUPAC Name | [1-(2,4-dichlorophenyl)cyclohexyl]methanamine |
| InChI | InChI=1S/C13H17Cl2N/c14-10-4-5-11(12(15)8-10)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2 |
| InChI Key | KROLLEKHYZYOIF-UHFFFAOYSA-N |
| MDL Number | MFCD09904138 |
| Molecular Formula | C13H17Cl2N |
| Molecular Weight | 258.1868 |
| SMILES | NCC1(C2=C(Cl)C=C(Cl)C=C2)CCCCC1 |
| Synonyms | [1-(2,4-dichlorophenyl)cyclohexyl]methanamine,
944348-13-4,
(1-(2,4-dichlorophenyl)cyclohexyl)methanamine,
SCHEMBL3517321,
ZINC11884540,
NE29135,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.186g/mol |
| Monoisotopic Mass | 257.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number