CAS
93942-24-6 Purity
96%
93942-24-6 Purity
96%
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2-Cyano-3-(diphenylamino)acrylamide
CAS
93942-34-8
Catalog Number
ACM93942348
Category
Other Products
Molecular Weight
263.293920 [g/mol]
Molecular Formula
C16H13N3O
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Specification
Synonyms
EINECS 300-586-0, 2-Cyano-3-(diphenylamino)acrylamide, CID6366315, 93942-34-8
IUPAC Name
(E)-2-cyano-3-(N-phenylanilino)prop-2-enamide
Canonical SMILES
C1=CC=C(C=C1)N(C=C(C#N)C(=O)N)C2=CC=CC=C2
InChI Key
HYQLALBKHYJQKD-OUKQBFOZSA-N
Boiling Point
459ºC at 760 mmHg
Flash Point
231.4ºC
Density
1.247g/cm³
EC Number
300-586-0
Exact Mass
263.10600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C16H13N3O.
What are the synonyms of the compound?
The synonyms are 2-Cyano-3-(diphenylamino)acrylamide and EINECS 300-586-0.
What is the molecular weight of the compound?
The molecular weight is 263.29 g/mol.
When was the compound created and modified in the database?
The compound was created on August 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is (E)-2-cyano-3-(N-phenylanilino)prop-2-enamide.
What is the InChI of the compound?
The InChI is InChI=1S/C16H13N3O/c17-11-13(16(18)20)12-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12H,(H2,18,20)/b13-12+.
What is the InChIKey of the compound?
The InChIKey is HYQLALBKHYJQKD-OUKQBFOZSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC=C(C=C1)N(C=C(C#N)C(=O)N)C2=CC=CC=C2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.5.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 1.
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CAS
93942-37-1 Purity
96%
93942-37-1 Purity
96%
