CAS
96133-49-2 Purity
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96133-49-2 Purity
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Acetamide,N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-
CAS
96141-86-5
Catalog Number
ACM96141865
Category
Other Products
Molecular Weight
325.404820
Molecular Formula
C19H23N3O2
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Specification
Synonyms
NSC14749, CID225424, Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-, 96141-86-5
IUPAC Name
N-[3-[4-(diethylamino)-2-methylanilino]-6-oxocyclohexa-2,4-dien-1-ylidene]acetamide
Canonical SMILES
CCN(CC)C1=CC(=C(C=C1)NC2=CC(=NC(=O)C)C(=O)C=C2)C
InChI Key
MOACBAHIRVMBNL-UHFFFAOYSA-N
Boiling Point
537.2±50.0 °C (760 mmHg)
Density
1.11±0.1 g/cm³(20 °C , 760mmHg)
Exact Mass
325.17900
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-?
The molecular formula is C19H23N3O2.
What are some synonyms for Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-?
Some synonyms include 96141-86-5, EC 414-740-0, N-(3-((4-(Diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadienyl)acetamide, and more.
When was Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)- created and modified?
It was created on 2019-01-15 and modified on 2023-12-30.
What is the calculated molecular weight of the compound?
The calculated molecular weight is 325.4 g/mol.
What is the InChIKey of Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-?
The InChIKey is CHGIHVWOAFUQLD-UHFFFAOYSA-N.
How many heavy atoms are present in the compound?
There are 24 heavy atoms present.
What is the XLogP3-AA value of Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-?
The XLogP3-AA value is 2.5.
How many hydrogen bond acceptors are there in the compound?
There are 4 hydrogen bond acceptors.
What is the topological polar surface area of Acetamide, N-(3-((4-(diethylamino)-2-methylphenyl)imino)-6-oxo-1,4-cyclohexadien-1-yl)-?
The topological polar surface area is 61.8 Ų.
How many rotatable bond counts are present in the compound?
There are 5 rotatable bond counts.
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96149-00-7 Purity
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96149-00-7 Purity
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