4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester

CAS
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CAS
912772-94-2
Size
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Purity
96%
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Catalog Number

ACM912772942

Product Name

4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester

Structure

Structure

CAS

912772-94-2

Category

Heterocyclic Organic Compound

Synonyms

4-(3-AMINOPYRIDIN-4-YLAMINO)BENZOIC ACID ETHYL ESTER;ETHYL 4-(3-AMINOPYRIDIN-4-YLAMINO)BENZOATE

IUPAC Name

ethyl 4-[(3-aminopyridin-4-yl)amino]benzoate

Molecular Weight

257.29

Molecular Formula

C₁₄H₁₅N₃O₂

Canonical SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C=NC=C2)N

InChI Key

JTLUIGUUPQCZOS-UHFFFAOYSA-N

Exact Mass

257.11600

H-Bond Acceptor

5

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The molecular formula is C14H15N3O2.

What are the synonyms for 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The synonyms are 912772-94-2, ethyl 4-[(3-aminopyridin-4-yl)amino]benzoate, and DTXSID60699914.

What is the molecular weight of 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The molecular weight is 257.29 g/mol.

What is the IUPAC name of 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The IUPAC name is ethyl 4-[(3-aminopyridin-4-yl)amino]benzoate.

What is the InChI of 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The InChI is InChI=1S/C14H15N3O2/c1-2-19-14(18)10-3-5-11(6-4-10)17-13-7-8-16-9-12(13)15/h3-9H,2,15H2,1H3,(H,16,17).

What is the InChIKey of 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The InChIKey is JTLUIGUUPQCZOS-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The canonical SMILES is CCOC(=O)C1=CC=C(C=C1)NC2=C(C=NC=C2)N.

What is the XLogP3-AA value of 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester?

The XLogP3-AA value is 1.9.

How many hydrogen bond donor counts does 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester have?

It has 5 hydrogen bond acceptor counts.

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