4-(Diethylamino)-2-[4-[5-(diethylamino)-2-formylphenoxy]butoxy]benzaldehyde

Update Time: 2025-04-25 16:31:57

	Common Name	4-(Diethylamino)-2-[4-[5-(diethylamino)-2-formylphenoxy]butoxy]benzaldehyde	English Name	4-(Diethylamino)-2-[4-[5-(diethylamino)-2-formylphenoxy]butoxy]benzaldehyde
	CAS NO.	N/A	Molecular Weight	440.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₆N₂O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	4-(Diethylamino)-2-[4-[5-(diethylamino)-2-formylphenoxy]butoxy]benzaldehyde

Molecular Formula	C26H36N2O4
Molecular Weight	440.6
Exact Mass	440.26750763
LogP	4.90
Standard SMILES	CCN(CC)c1ccc(C=O)c(OCCCCOc2cc(N(CC)CC)ccc2C=O)c1
Canonical SMILES	CCN(CC)C1=CC(=C(C=C1)C=O)OCCCCOC2=C(C=CC(=C2)N(CC)CC)C=O
Isomeric SMILES	CCN(CC)C1=CC(=C(C=C1)C=O)OCCCCOC2=C(C=CC(=C2)N(CC)CC)C=O
Standard InChI Identifier	InChI=1S/C26H36N2O4/c1-5-27(6-2)23-13-11-21(19-29)25(17-23)31-15-9-10-16-32-26-18-24(28(7-3)8-4)14-12-22(26)20-30/h11-14,17-20H,5-10,15-16H2,1-4H3
Standard InChI Key	QGMIQZVDCXRONH-UHFFFAOYSA-N
Compound Complexity	478.00
computational chemistry	Hydrogen Bond Acceptor Count：6 Hydrogen Bond Donor Count：0 Rotatable Bond Count：15 Heavy Atom Count：32 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：440.26750763