Ethyl 4-[2-(butylamino)propanoylamino]benzoate

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CAS
93142-90-6
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Purity
96%
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Catalog Number

ACM93142906

Product Name

Ethyl 4-[2-(butylamino)propanoylamino]benzoate

CAS

93142-90-6

Category

Heterocyclic Organic Compound

Synonyms

SA-6, p-(2-(Butylamino)propionamido)benzoic acid ethyl ester, BRN 2221401, BENZOIC ACID, p-(2-(BUTYLAMINO)PROPIONAMIDO)-, ETHYL ESTER, 93142-90-6, AC1L1LA3, ethyl 4-[(N-butylalanyl)amino]benzoate, LS-36332, ethyl 4-[2-(butylamino)propanoylamino]benzoate

IUPAC Name

ethyl 4-[2-(butylamino)propanoylamino]benzoate

Molecular Weight

292.373 g/mol

Molecular Formula

C₁₆H₂₄N₂O₃

Canonical SMILES

CCCCNC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC

InChI Key

FRPALAJMOMSFOK-UHFFFAOYSA-N

Boiling Point

457.4ºC at 760 mmHg

Flash Point

230.4ºC

Density

1.088g/cm³

Exact Mass

292.17900

H-Bond Acceptor

4

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound?

The molecular formula is C16H24N2O3.

What is the synonym for the compound?

One of the synonyms for the compound is "p-(2-(Butylamino)propionamido)benzoic acid ethyl ester."

What is the computed IUPAC name of the compound?

The computed IUPAC name is "ethyl 4-[2-(butylamino)propanoylamino]benzoate."

What is the InChI of the compound?

The InChI of the compound is "InChI=1S/C16H24N2O3/c1-4-6-11-17-12(3)15(19)18-14-9-7-13(8-10-14)16(20)21-5-2/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,19)."

What is the InChIKey of the compound?

The InChIKey of the compound is "FRPALAJMOMSFOK-UHFFFAOYSA-N."

What is the molecular weight of the compound?

The molecular weight is 292.37 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.6.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 9 rotatable bond counts.

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