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Structure

Diethyl[2-[2-[2-(4-isobutylphenyl)butyroyloxy]ethoxy]ethyl]ammonium dihydrogen citrate

CAS
61147-39-5
Catalog Number
ACM61147395
Category
Other Products
Molecular Weight
555.657600 [g/mol]
Molecular Formula
C28H45NO10

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Specification

Synonyms
EINECS 262-627-8, CID6454131, Diethyl(2-(2-(2-(4-isobutylphenyl)butyroyloxy)ethoxy)ethyl)ammonium dihydrogen citrate, 61147-39-5
IUPAC Name
2-(2-diethylaminoethyloxy)ethyl 2-[4-(2-methylpropyl)phenyl]butanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES
CCC(C1=CC=C(C=C1)CC(C)C)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI Key
ZWPGGYYOFUXODN-UHFFFAOYSA-N
Boiling Point
447ºC at 760 mmHg
Flash Point
224.1ºC
EC Number
262-627-8
Exact Mass
555.30400
H-Bond Acceptor
11
H-Bond Donor
4
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