Diethyl 2-(benzoylamino)propanedioate

CAS
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CAS
96-86-6
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Purity
96%
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Catalog Number

ACM96866

Product Name

Diethyl 2-(benzoylamino)propanedioate

CAS

96-86-6

Category

Heterocyclic Organic Compound

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

Molecular Weight

279.288 g/mol

Molecular Formula

C₁₄H₁₇NO₅

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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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