CAS
96861-52-8 Purity
96%
96861-52-8 Purity
96%
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Diethyl 2-(benzoylamino)propanedioate
CAS
96-86-6
Catalog Number
ACM96866
Category
Other Products
Molecular Weight
279.288 g/mol
Molecular Formula
C14H17NO5
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Specification
Synonyms
benzoylamino-malonic acid diethyl ester; 2-(anthracen-9-ylmethyl)malonic acid diethyl ester; Propanedioic acid,(9-anthracenylmethyl)-,diethyl ester; diethyl 2-(benzoylamino)malonate; 2-(benzoylamino)propanedioic acid diethyl ester; diethyl N-benzoyl-amino
IUPAC Name
diethyl2-benzamidopropanedioate
Canonical SMILES
CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=CC=C1
InChI Key
NMSZTQWZINJIMY-UHFFFAOYSA-N
Boiling Point
452.9ºC at 760mmHg
Flash Point
227.7ºC
Density
1.182g/cm³
EC Number
202-540-4
Exact Mass
279.11100
Safety Description
S22-S24/25
What is the molecular formula of Diethyl 2-(benzoylamino)propanedioate?
The molecular formula is C14H17NO5.
What is the molecular weight of Diethyl 2-(benzoylamino)propanedioate?
The molecular weight is 279.29 g/mol.
What is the IUPAC name of Diethyl 2-(benzoylamino)propanedioate?
The IUPAC name is diethyl 2-benzamidopropanedioate.
What is the InChI of Diethyl 2-(benzoylamino)propanedioate?
The InChI is InChI=1S/C14H17NO5/c1-3-19-13(17)11(14(18)20-4-2)15-12(16)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,15,16).
What is the InChIKey of Diethyl 2-(benzoylamino)propanedioate?
The InChIKey is NMSZTQWZINJIMY-UHFFFAOYSA-N.
What is the canonical SMILES of Diethyl 2-(benzoylamino)propanedioate?
The canonical SMILES is CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=CC=C1.
What is the CAS number of Diethyl 2-(benzoylamino)propanedioate?
The CAS number is 96-86-6.
What is the XLogP3-AA value of Diethyl 2-(benzoylamino)propanedioate?
The XLogP3-AA value is 2.
How many hydrogen bond donor counts does Diethyl 2-(benzoylamino)propanedioate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Diethyl 2-(benzoylamino)propanedioate have?
It has 5 hydrogen bond acceptor counts.
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