6906-38-3 Purity
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Specification
The molecular formula of Coralgil is C30H48N2O2.
The molecular weight of Coralgil is 468.7 g/mol.
The IUPAC name of Coralgil is 2-[4-[4-[4-[2-(diethylamino)ethoxy]phenyl]hexan-3-yl]phenoxy]-N,N-diethylethanamine.
The InChI of Coralgil is InChI=1S/C30H48N2O2/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6/h13-20,29-30H,7-12,21-24H2,1-6H3.
The InChIKey of Coralgil is UBDWKOZBPSKHMO-UHFFFAOYSA-N.
The Canonical SMILES of Coralgil is CCC(C1=CC=C(C=C1)OCCN(CC)CC)C(CC)C2=CC=C(C=C2)OCCN(CC)CC.
The CAS number of Coralgil is 2691-45-4.
The ChEMBL ID of Coralgil is CHEMBL1615358.
The XLogP3-AA value of Coralgil is 7.4.
Coralgil has 17 rotatable bonds.