CAS
94-31-5 Purity
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94-31-5 Purity
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Di-N-desethyl amiodarone
CAS
94317-95-0
Catalog Number
ACM94317950
Category
Other Products
Molecular Weight
589.21
Molecular Formula
C21H21I2NO3
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Specification
Synonyms
methanone,(4-(2-aminoethoxy)-3,5-diiodophenyl)(2-butyl-3-benzofuranyl); Di-N-desethylamiodarone; DDEA; Desdiethylamiodarone;
IUPAC Name
[4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone
InChI Key
ZOCLVGHDXBVATF-UHFFFAOYSA-N
Boiling Point
629ºC at 760 mmHg
Flash Point
334.2ºC
Density
1.74g/cm³
Exact Mass
588.96100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Di-N-desethyl amiodarone?
The molecular formula of Di-N-desethyl amiodarone is C21H21I2NO3.
When was Di-N-desethyl amiodarone created in PubChem?
Di-N-desethyl amiodarone was created in PubChem on August 8, 2005.
What is the molecular weight of Di-N-desethyl amiodarone?
The molecular weight of Di-N-desethyl amiodarone is 589.2 g/mol.
What is the InChIKey of Di-N-desethyl amiodarone?
The InChIKey of Di-N-desethyl amiodarone is ZOCLVGHDXBVATF-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Di-N-desethyl amiodarone have?
Di-N-desethyl amiodarone has one hydrogen bond donor count.
What is the topological polar surface area of Di-N-desethyl amiodarone?
The topological polar surface area of Di-N-desethyl amiodarone is 65.5 ?2.
How many rotatable bond counts does Di-N-desethyl amiodarone have?
Di-N-desethyl amiodarone has eight rotatable bond counts.
Is Di-N-desethyl amiodarone a canonicalized compound?
Yes, Di-N-desethyl amiodarone is a canonicalized compound.
What is the ChEMBL ID of Di-N-desethyl amiodarone?
The ChEMBL ID of Di-N-desethyl amiodarone is CHEMBL1598.
What is the exact mass of Di-N-desethyl amiodarone?
The exact mass of Di-N-desethyl amiodarone is 588.96109 g/mol.
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