AC1L598N
benzene-1,3-dicarboxylic acid;cyclohexanamine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diamine;hexanedioic acid
Also Known As: (C8-H6-O4.C6-H16-N2.C6-H14-O3.C6-H13-N.C6-H10-O4)x-|1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediamine and hexanedioic acid, cyclohexylamine-modified|1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,6-hexanediamine and hexanedioic acid, cyclohexylamine, modified|benzene-1,3-dicarboxylic acid; cyclohexanamine; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diamine; hexanedioic acid
| Molecular Formula | C32H59N3O11 |
|---|---|
| Molecular Weight | 661.415 g/mol |
| LogP | 2.9007 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 661.415 |
| Monoisotopic Mass | 661.415 |
| Heavy Atoms | 46 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 70879-35-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.C1CCC(CC1)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O |
| InChIKey | GPQWKLBZDRFWFL-UHFFFAOYSA-N |
Product Overview
AC1L598N (CAS 70879-35-5), with molecular formula C32H59N3O11 and molecular weight 661.415 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;cyclohexanamine;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diamine;hexanedioic acid.
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