1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-aminophenyl]diazenyl]-
Basic information
- CAS
117-88-4- Standard SMILES
CC(=O)Nc1cc(N)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1- InChIKey
KOXYXBGVZGWXED-UHFFFAOYSA-N- Molecular formula
- C18H16N4O7S2
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.04604121
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-aminophenyl]diazenyl]-
- IUPAC
- 3-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonic acid
- English name
- 3-[[2-(acetylamino)-4-aminophenyl]azo]naphthalene-1,5-disulphonic acid
- Molecular formula
- C18H16N4O7S2
- Molecular weight
- 464.47
Names & synonyms
EINECS 204-218-91,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-aminophenyl]azo]-1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-aminophenyl]diazenyl]-1,5-Naphthalenedisulfonic acid, 3-((2-(acetylamino)-4-aminophenyl)azo)-1,5-Naphthalenedisulfonic acid, 3-(2-(2-(acetylamino)-4-aminophenyl)diazenyl)-RefChem:417412117-88-43-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonic acid3-[[2-(acetylamino)-4-aminophenyl]azo]naphthalene-1,5-disulphonic acid3-((2-(Acetylamino)-4-aminophenyl)azo)naphthalene-1,5-disulphonic acidKOXYXBGVZGWXED-UHFFFAOYSA-NSCHEMBL5889381
Show more names
3-[2-[2-(Acetylamino)-4-aminophenyl]diazenyl]-1,5-naphthalenedisulfonic acid3-[2-[2-(Acetcarboxcarboxcarboxamido)-4-aminophenyl]diazenyl]-1,5-naphthalenedisulfonic acid
DTXSID4059463SCHEMBL10350671SCHEMBL10350672NS00005292
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 897
Physicochemical properties
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- -0.73 · -0.73±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-aminophenyl]azo]- (117-88-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 3-[2-[2-(acetylamino)-4-aminophenyl]diazenyl]-: INACTIVE
Upstream & downstream products
Upstream raw materials
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Compound notes
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