Basic information
- CAS
13377-98-5- Standard SMILES
Cc1cc(N(CCO)CCC#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1O- InChIKey
AOMPWZIIJWGZLI-UHFFFAOYSA-N- Molecular formula
- C18H19N5O4
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.1437041
Names & identifiers
- Preferred name
- Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(2-hydroxy-4-nitrophenyl)diazenyl)-3-methylphenyl)amino)-
- IUPAC
- 3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile
- English name
- 3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)azo]-m-toluidino]propiononitrile
- Molecular formula
- C18H19N5O4
- Molecular weight
- 369.37
Names & synonyms
EINECS 236-452-2Propanenitrile, 3-[(2-hydroxyethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]-4-(2-Hydroxy-4-nitrophenylazo)-3-methyl-N-(beta-cyanoethyl)-N-(beta-hydroxyethyl)anilinePropanenitrile, 3-((2-hydroxyethyl)(4-((2-hydroxy-4-nitrophenyl)azo)-3-methylphenyl)amino)-Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(2-hydroxy-4-nitrophenyl)diazenyl)-3-methylphenyl)amino)-Propanenitrile, 3-[(2-hydroxyethyl)[4-[2-(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]-RefChem:86903613377-98-53-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)azo]-m-toluidino]propiononitrile3-(N-(2-Hydroxyethyl)-4-((2-hydroxy-4-nitrophenyl)azo)-m-toluidino)propiononitrileASR64DA6B7DTXSID1065429
Show more names
4-(2-Hydroxy-4-nitrophenylazo)-N-(2-cyanoethyl)-N-(2-hydroxyethyl)-m-toluidine3-[N-(2-Hydroxyethyl)-4-(4-nitro-2-hydroxyphenylazo)-3-methylphenylamino]propanenitrile
AOMPWZIIJWGZLI-UHFFFAOYSA-N3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrileNS000243093-[(2-Hydroxyethyl){4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl}amino]propanenitrile
Database identifiers
- CAS
13377-98-5- PubChem CID
- 83391
- DTXSID
DTXSID1065429- UNII
- ASR64DA6B7
- EC Number
- 236-452-2
- Nikkaji
- J30.092F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[(2-hydroxyethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]- (13377-98-5)
- 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 InformationPropanenitrile, 3-[(2-hydroxyethyl)[4-[2-(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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