3-Carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

Catalog Number

ACM100310869

Product Name

3-Carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

Structure

CAS

100310-86-9

Category

Heterocyclic Organic Compound

Synonyms

1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-, citrate, 5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole citrate, AC1L1NIE, AC1Q22D1, LS-34660, 100310-86-9, 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]-n,n-diethylethanaminium 3,3-dicarboxy-4-hydroxybutanoate, 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate; 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

IUPAC Name

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

Molecular Weight

505.943 g/mol

Molecular Formula

C₂₂H₃₂ClNO₁₀

Canonical SMILES

CC[NH+](CC)CCOCCC1(OC2=C(O1)C=C(C=C2)Cl)C.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O

InChI Key

PNGRVXGYHJHJBM-UHFFFAOYSA-N

Boiling Point

381ºC at 760 mmHg

Flash Point

184.2ºC

Exact Mass

505.17100

H-Bond Acceptor

10

H-Bond Donor

4

MSDS

COA

Spec Sheet