CAS
93966-58-6 Purity
96%
93966-58-6 Purity
96%
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Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl]azelate
CAS
93966-62-2
Catalog Number
ACM93966622
Category
Other Products
Molecular Weight
662.820340 [g/mol]
Molecular Formula
C39H46N6O4
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Specification
Synonyms
EINECS 301-014-2, Bis(2-((4-(2,2-dicyanovinyl)-3-methylphenyl)ethylamino)ethyl) azelate, 93966-62-2
IUPAC Name
bis[2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl] nonanedioate
Canonical SMILES
CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)C1=CC(=C(C=C1)C=C(C#N)C#N)C)C2=CC(=C(C=C2)C=C(C#N)C#N)C
InChI Key
YFQBDOXXTMOVIJ-UHFFFAOYSA-N
EC Number
301-014-2
H-Bond Acceptor
10
H-Bond Donor
0
What is the molecular formula of the compound Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl]azelate?
The molecular formula is C39H46N6O4.
When was the compound created and modified in PubChem?
The compound was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl]azelate?
The IUPAC name is bis[2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl] nonanedioate.
What is the InChI of the compound?
The InChI is InChI=1S/C39H46N6O4/c1-5-44(36-16-14-34(30(3)22-36)24-32(26-40)27-41)18-20-48-38(46)12-10-8-7-9-11-13-39(47)49-21-19-45(6-2)37-17-15-35(31(4)23-37)25-33(28-42)29-43/h14-17,22-25H,5-13,18-21H2,1-4H3.
What is the InChIKey of the compound?
The InChIKey is YFQBDOXXTMOVIJ-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl]azelate?
The Canonical SMILES is CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)C1=CC(=C(C=C1)C=C(C#N)C#N)C)C2=CC(=C(C=C2)C=C(C#N)C#N)C.
What is the molecular weight of the compound?
The molecular weight is 662.8 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 22 rotatable bond counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
93966-61-1 Purity
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93966-61-1 Purity
96%
