| CAS Number | 76062-98-1 |
| Catalog Number | AG00G4T8(AGN-PC-0U8XKG) |
| Chemical Name | (R)-3-Hydroxy Myristic Acid Dicyclohexylammonium Salt |
| IUPAC Name | N-cyclohexylcyclohexanamine;(3R)-3-hydroxytetradecanoic acid |
| InChI | InChI=1S/C14H28O3.C12H23N/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h13,15H,2-12H2,1H3,(H,16,17);11-13H,1-10H2/t13-;/m1./s1 |
| InChI Key | BVENITBOXXWZJW-BTQNPOSSSA-N |
| MDL Number | MFCD27978007 |
| Molecular Formula | C26H51NO3 |
| Molecular Weight | 425.6880 |
| SMILES | CCCCCCCCCCC[C@H](CC(=O)O)O.C1CCC(CC1)NC2CCCCC2 |
| Synonyms | 76062-98-1,
DTXSID90574583,
FT-0669881,
D-3-Hydroxytetradecanoic Acid N-cyclohexylcyclohexanamine Salt,
(3R)-3-Hydroxytetradecanoic acid--N-cyclohexylcyclohexanamine (1/1),
(R)-3-Hydroxytetradecanoic Acid N-cyclohexylcyclohexanamine Salt,
BVENITBOXXWZJW-BTQNPOSSSA-N,
(R)-3-Hydroxy Myristic Acid Tri(dicyclohexylammonium Salt),
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 425.387g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 425.698g/mol |
| Monoisotopic Mass | 425.387g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number