Compound C20H26Cl2N2O6

4-[2-amino-5-[4-amino-3-(3-carboxypropoxy)phenyl]phenoxy]butanoic acid;dihydrochloride

CAS: 56455-90-4

Molecular Formula	`C20H26Cl2N2O6`
Molecular Weight	461.3 g/mol
Topological Polar Surface Area	145.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	460.1168
Heavy Atoms	30
Complexity	459.0

Chemical Identifiers

CAS Number	56455-90-4
SMILES	`C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCC(=O)O)OCCCC(=O)O)N.Cl.Cl`
InChIKey	`BABQSVIBQAEEQX-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H26Cl2N2O6 (CAS: 56455-90-4) is a chemical compound with molecular formula C20H26Cl2N2O6 and molecular weight 461.3 g/mol. Its IUPAC systematic name is 4-[2-amino-5-[4-amino-3-(3-carboxypropoxy)phenyl]phenoxy]butanoic acid;dihydrochloride. Topological Polar Surface Area 145.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 460.1168 Heavy Atoms 30 Complexity 459.0 InChI Key: BABQSVIBQAEEQX-UHFFFAOYSA-N. SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)OCCCC(=O)O)OCCCC(=O)O)N.Cl.Cl.

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