Aces Buffer 99% Extrapure

CAT: 1507-500025Size: 25 mgDry Ice: NoHazardous: No

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CAS Number

7365-82-4

HSN Code

29241900

Chemical Information

N-(2-acetamido)-2-aminoethanesulfonic acid

N-(2-acetamido)-2-aminoethanesulfonic acid is a Good's buffer substance, pKa = 6.9 at 20 C. It is an amino sulfonic acid and an ACES. It is a tautomer of a 2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate.

CAS Number	7365-82-4
PubChem CID	81832
IUPAC Name	2-[(2-amino-2-oxoethyl)amino]ethanesulfonic acid
Molecular Formula	C4H10N2O4S
Molecular Weight	182.20
XLogP	-4.7
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	217

SMILES

C(CS(=O)(=O)O)NCC(=O)N

InChI

InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)

InChIKey

DBXNUXBLKRLWFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7365-82-4

CID: 81832

Formula: C4H10N2O4S

MW: 182.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	182.20
XLogP3	-4.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	182.03612798
Monoisotopic Mass	182.03612798
Topological Polar Surface Area	118 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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