5-Acetamido-3-amino-2-hydroxybenzenesulphonic acid
Basic information
- CAS
6856-14-0- Standard SMILES
CC(=O)Nc1cc(N)c(O)c(S(=O)(=O)O)c1- InChIKey
FVELBSCPKVNJHA-UHFFFAOYSA-N- Molecular formula
- C8H10N2O5S
- Average molar mass
- 246.24 g/mol
- Monoisotopic mass
- 246.0310426
Names & identifiers
- Preferred name
- 5-Acetamido-3-amino-2-hydroxybenzenesulphonic acid
- IUPAC
- 5-acetamido-3-amino-2-hydroxybenzenesulfonic acid
- English name
- 5-acetamido-3-amino-2-hydroxybenzenesulphonic acid
- Molecular formula
- C8H10N2O5S
- Molecular weight
- 246.24
Names & synonyms
5-Acetamido-3-amino-2-hydroxybenzenesulphonic acid6856-14-05-acetamido-3-amino-2-hydroxybenzenesulfonic acidN4TJ6Z68VHEINECS 229-952-7UNII-N4TJ6Z68VHSCHEMBL5677351DTXSID80218666FVELBSCPKVNJHA-UHFFFAOYSA-NNS000366605-Acetamido-3-amino-2-hydroxybenzene-1-sulfonic acidBENZENESULFONIC ACID, 5-(ACETYLAMINO)-3-AMINO-2-HYDROXY-
Show more names
2-hydroxy-3-amino-5-acetamidobenzenesulfonic acid5-(Acetylamino)-3-amino-2-hydroxybenzenesulfonic acid
BENZENESULPHONIC ACID, 5-(ACETYLAMINO)-3-AMINO-2-HYDROXY-
Database identifiers
- CAS
6856-14-0- PubChem CID
- 81297
- DTXSID
DTXSID80218666- UNII
- N4TJ6Z68VH
- EC Number
- 229-952-7
- Nikkaji
- J265.933F
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Density
- 1.686 · 1.686±0.06 g/cm3(Predicted)
- pka
- -2.02 · -2.02±0.50(Predicted)
- FDA UNII
- 4 TJ6Z68VH · N4TJ6Z68VH
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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