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Structure

Benzenesulfonic acid,3-(diethylamino)-

CAS
97-20-1
Catalog Number
ACM97201
Category
Other Products
Molecular Weight
193.24
Molecular Formula
C10H15NO3S

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Specification

Synonyms
M-(N,N'-DIETHYLAMINO) BENZOIC ACID;3-(DIETHYLAMINO)BENZOIC ACID;Diethylmetanilsure;N,N-Diethylmetanilic acid;3-(Diethylamino)benzenesulfonic acid;3-Diethylaminobenzenesulfonic acid
IUPAC Name
3-(diethylamino)benzenesulfonic acid
InChI Key
TYXZQVMCGZKDEK-UHFFFAOYSA-N
Boiling Point
347.505ºC at 760 mmHg
Flash Point
163.965ºC
Density
1.117g/cm³
Exact Mass
229.07700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Benzenesulfonic acid,3-(diethylamino)?

The molecular formula is C11H15NO2.

When was Benzenesulfonic acid,3-(diethylamino) created in PubChem?

It was created on December 8, 2006.

What is the IUPAC Name of Benzenesulfonic acid,3-(diethylamino)?

The IUPAC Name is 3-(diethylamino)benzoic acid.

What is the Canonical SMILES of Benzenesulfonic acid,3-(diethylamino)?

The Canonical SMILES is CCN(CC)C1=CC=CC(=C1)C(=O)O.

What is the Molecular Weight of Benzenesulfonic acid,3-(diethylamino)?

The Molecular Weight is 193.24 g/mol.

What is the CAS number of Benzenesulfonic acid,3-(diethylamino)?

The CAS number is 25642-60-8.

What is the XLogP3 value for Benzenesulfonic acid,3-(diethylamino)?

The XLogP3 value is 2.3.

How many hydrogen bond donor counts are there in Benzenesulfonic acid,3-(diethylamino)?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of Benzenesulfonic acid,3-(diethylamino)?

The topological polar surface area is 40.5 Å2.

Is Benzenesulfonic acid,3-(diethylamino) canonicalized in PubChem?

Yes, it is canonicalized in PubChem as a covalently-bonded unit.

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