Basic information
- CAS
63467-08-3- Standard SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1- InChIKey
BBCMFXGIGGXVPH-UHFFFAOYSA-N- Molecular formula
- C20H21N5O6S
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.12125458
Names & identifiers
- Preferred name
- Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate
- English name
- 2-[(2-cyanoethyl)[4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]ethyl acetate
- Molecular formula
- C20H21N5O6S
- Molecular weight
- 459.48
Names & synonyms
EINECS 264-221-6Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-DTXSID7069867Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)phenyl)amino)-Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-RefChem:869018DTXCID004389063467-08-32-((2-Cyanoethyl)(4-((2-(methylsulphonyl)-4-nitrophenyl)azo)phenyl)amino)ethyl acetateDZT65QQK5LBBCMFXGIGGXVPH-UHFFFAOYSA-N
Show more names
2-[(2-cyanoethyl)[4-[[2-(methylsulphonyl)-4-nitrophenyl]azo]phenyl]amino]ethyl acetate3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-PropanenitrileAcetic acid 2-[(2-cyanoethyl)[4-[[4-nitro-2-(methylsulfonyl)phenyl]azo]phenyl]amino]ethyl ester
DB-313220NS000354632-((2-Cyanoethyl)(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)ethyl acetate2-[(2-Cyanoethyl)[4-[[2-(methylsulphonyl)-4-nitrophenyl ]azo]phenyl ]amino]ethyl acetate2-[(2-Cyanoethyl)(4-{[2-(methanesulfonyl)-4-nitrophenyl]diazenyl}phenyl)amino]ethyl acetate3-[[2-(Acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]propanenitrile
Database identifiers
- CAS
63467-08-3- PubChem CID
- 113249
- DTXSID
DTXSID7069867- UNII
- DZT65QQK5L
- EC Number
- 264-221-6
- Nikkaji
- J349.215J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 820
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]- (63467-08-3)
- 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.
Hazard information
Regulatory InformationChemical: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…