4-Amino-6-chloroquinoline-3-carboxylic acid ethyl ester

CAS

955328-25-3

Catalog Number

ACM955328253

Category

Other Products

Molecular Weight

250.680940 [g/mol]

Molecular Formula

C12H11ClN2O2

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

Ethyl 4-Amino-6-chloroquinoline-3-carboxylate, 955328-25-3, SureCN441687, AGN-PC-01A0O7, BB_SC-5906, SBB018956, STK787839, ZINC14988293, AKOS000272096, MCULE-9311680107, KB-240133, ST4145788, BB 0218954, 4-amino-6-chloroquinoline-3-carboxylic acid ethyl ester, F2156-0049

IUPAC Name

ethyl 4-amino-6-chloroquinoline-3-carboxylate

Canonical SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)Cl

InChI Key

PJYFMJRIZIWLNV-UHFFFAOYSA-N

Boiling Point

399.7ºC at 760 mmHg

Flash Point

195.6ºC

Density

1.352g/cm³

Exact Mass

250.05100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C12H11ClN2O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 250.68 g/mol.

What are some synonyms of the compound?

Some synonyms of the compound include Ethyl 4-Amino-6-chloroquinoline-3-carboxylate, 3-Quinolinecarboxylic acid, 4-amino-6-chloro-, ethyl ester, and 4-amino-6-chloroquinoline-3-carboxylic acid ethyl ester.

When was the compound first created and when was it last modified?

The compound was first created on 2007-11-13 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name of the compound is ethyl 4-amino-6-chloroquinoline-3-carboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H11ClN2O2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3,(H2,14,15).

What is the InChIKey of the compound?

The InChIKey of the compound is PJYFMJRIZIWLNV-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)Cl.

How many hydrogen bond acceptors does the compound have?

The compound has 4 hydrogen bond acceptors.