3-(Ethyl(4-(2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropanamide
Basic information
- CAS
60810-05-1- Standard SMILES
CCN(CCC(=O)N(C)CCO)c1ccc(N=Nc2snc3ccc([N+](=O)[O-])cc23)cc1- InChIKey
YGNMNEXULHORSX-UHFFFAOYSA-N- Molecular formula
- C21H24N6O4S
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.15797444
Names & identifiers
- Preferred name
- 3-(Ethyl(4-(2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropanamide
- IUPAC
- 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]-N-(2-hydroxyethyl)-N-methylpropanamide
- English name
- 3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropionamide
- Molecular formula
- C21H24N6O4S
- Molecular weight
- 456.52
Names & synonyms
60810-05-13-(Ethyl(4-(2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropanamide3-[Ethyl[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropanamideRefChem:275502EINECS 262-439-63-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methylpropionamideDTXSID80866828YGNMNEXULHORSX-UHFFFAOYSA-NNS00054378N~3~-Ethyl-N-(2-hydroxyethyl)-N-methyl-N~3~-{4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl}-beta-alaninamidePropanamide, 3-(ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)-N-(2-hydroxyethyl)-N-methyl-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methyl-Propanamide
Show more names
3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropionamidepropanamide, 3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-n-(2-hydroxyethyl)-n-methyl-
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 694.7 · 694.7±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 14.48 · 14.48±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanamide, 3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methyl-
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