CAS
912772-80-6 Purity
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912772-80-6 Purity
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4-(3-Aminopyridin-4-ylamino)benzoic acid ethyl ester
CAS
912772-94-2
Catalog Number
ACM912772942
Category
Other Products
Molecular Weight
257.29
Molecular Formula
C14H15N3O2
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Specification
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
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
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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