| CAS Number | 1609406-84-9 |
| Catalog Number | AG00J3AX(AGN-PC-0WRATZ) |
| Chemical Name | Tricyclo[3.3.1.13,7]decane-1-methanamine, 3-(4-chlorophenyl)-α-methyl-, sulfate (1:1) |
| IUPAC Name | 1-[3-(4-chlorophenyl)-1-adamantyl]ethanamine;sulfuric acid |
| InChI | InChI=1S/C18H24ClN.H2O4S/c1-12(20)17-7-13-6-14(8-17)10-18(9-13,11-17)15-2-4-16(19)5-3-15;1-5(2,3)4/h2-5,12-14H,6-11,20H2,1H3;(H2,1,2,3,4) |
| InChI Key | YNWZYRYFQJLUIS-UHFFFAOYSA-N |
| MDL Number | MFCD07781058 |
| Molecular Formula | C18H26ClNO4S |
| Molecular Weight | 387.9213 |
| SMILES | OS(=O)(=O)O.Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(N)C |
| Synonyms | 1-(3-(4-Chlorophenyl)adamantan-1-yl)ethanamine sulfate,
412956-99-1,
1609406-84-9,
ZX-CM014225,
{1-[3-(4-chlorophenyl)-1-adamantyl]ethyl}amine sulfate,
|
| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.919g/mol |
| Monoisotopic Mass | 387.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number