Basic information
- CAS
71889-11-7- Standard SMILES
CCC(=O)Nc1cc(N(CC)CC)c(OCCOC)cc1N=Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
XHEQOJNWMASGCV-UHFFFAOYSA-N- Molecular formula
- C22H27BrN6O7
- Average molar mass
- 567.4 g/mol
- Monoisotopic mass
- 566.11246
Names & identifiers
- Preferred name
- N-(2-(2-(2-Bromo-4,6-dinitrophenyl)diazenyl)-5-(diethylamino)-4-(2-methoxyethoxy)phenyl)propanamide
- IUPAC
- N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]propanamide
- English name
- N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]propanamide
- Molecular formula
- C22H27BrN6O7
- Molecular weight
- 567.39
Names & synonyms
71889-11-7N-(2-(2-(2-Bromo-4,6-dinitrophenyl)diazenyl)-5-(diethylamino)-4-(2-methoxyethoxy)phenyl)propanamideN-[2-[2-(2-Bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]propanamideRefChem:360296N-(2-((2-Bromo-4,6-dinitrophenyl)azo)-5-(diethylamino)-4-(2-methoxyethoxy)phenyl)propionamidePropanamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]-Propanamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-(diethylamino)-4-(2-methoxyethoxy)phenyl)-Propanamide, N-(2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-5-(diethylamino)-4-(2-methoxyethoxy)phenyl)-DTXSID3072454XHEQOJNWMASGCV-UHFFFAOYSA-NN-{2-[(2-Bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl}propanamideN-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]propanamide
Database identifiers
- CAS
71889-11-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 760
Physicochemical properties
- Boiling point
- 736.673 · 736.673±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.477 · 1.477±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.419 · 13.419±0.70(predicted)
- EPA Substance Registry System
- 2 · Propanamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]- (71889-11-7)
- 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 InformationPropanamide, N-[2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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