AC1L598N structure

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

CAS: 70879-35-5
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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