CAS
95743-17-2 Purity
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95743-17-2 Purity
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2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxyphenyl)-ethyl]methyl-amino}-pentanenitrile
CAS
95748-23-5
Catalog Number
ACM95748235
Category
Other Products
Molecular Weight
412.52
Molecular Formula
C24H32N2O4
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Specification
Synonyms
5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)valeronitrile;
IUPAC Name
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pentanenitrile
InChI Key
FODDOFHUTVJMSE-UHFFFAOYSA-N
Appearance
Brown Oil
Exact Mass
412.23600
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 45039062?
The molecular formula is C24H32N2O4.
What is the molecular weight of the compound?
The molecular weight is 412.5 g/mol.
Can you provide the IUPAC name of the compound?
The IUPAC name is 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pentanenitrile.
What is the InChIKey of the compound?
The InChIKey is FODDOFHUTVJMSE-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 64 Å2.
How many rotatable bond counts does the compound have?
The compound has 12 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.2.
When was the compound last modified in PubChem?
The compound was last modified on 2023-12-30.
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