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2-Amino-5-ethoxybenzenesulphonic acid

HCID 80924
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
6448-82-4
Standard SMILES
CCOc1ccc(N)c(S(=O)(=O)O)c1
InChIKey
KTFUNVBAGAPLLC-UHFFFAOYSA-N
Molecular formula
C8H11NO4S
Average molar mass
217.24 g/mol
Monoisotopic mass
217.04087883

Names & identifiers

Preferred name
2-Amino-5-ethoxybenzenesulphonic acid
IUPAC
2-amino-5-ethoxybenzenesulfonic acid
English name
2-Amino-5-ethoxybenzenesulphonic acid
Molecular formula
C8H11NO4S
Molecular weight
217.24

Names & synonyms

2-Amino-5-ethoxybenzenesulphonic acid6448-82-42-amino-5-ethoxybenzenesulfonic acidBenzenesulfonic acid, 2-amino-5-ethoxy-EINECS 229-243-22-Amino-5-ethoxybenzene-1-sulfonic acidSCHEMBL342839SCHEMBL342840DTXSID50983051NS000472944-phenetidine-3-sulfonic acid2-Amino-5-ethoxybenzenesulphonicaci
Show more names
4-Aminoethoxybenzene-3-sulfonic acid2-Amino-5-ethoxybenzenesulphonic acid ISO 9001:2015 REACH

Database identifiers

CAS
6448-82-4
PubChem CID
80924
DTXSID
DTXSID50983051
EC Number
229-243-2
Nikkaji
J225.125F

Properties

Computed structural propertiesFilling in

XLogP
0.9
Topological polar surface area
98 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
272

Related reactions

1 records
New reaction record
HRID 1905014 reaction equation
HRID 1905014As reactantuspto-grants-1989_06

Compound notes

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