Azobenzene, 4-bis(2-bromoethyl)amino-2'-carboxy-2-methyl-
Basic information
- CAS
40136-81-0- Standard SMILES
Cc1cc(N(CCBr)CCBr)ccc1N=Nc1ccccc1C(=O)O- InChIKey
BATWRYLIIKWIAE-UHFFFAOYSA-N- Molecular formula
- C18H19Br2N3O2
- Average molar mass
- 469.2 g/mol
- Monoisotopic mass
- 466.9844
Names & identifiers
- Preferred name
- Azobenzene, 4-bis(2-bromoethyl)amino-2'-carboxy-2-methyl-
- IUPAC
- 2-[[4-[bis(2-bromoethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
- English name
- 2-[[4-[Bis(2-bromoethyl)amino]-2-methylphenyl]azo]benzoic acid
- Molecular formula
- C18H19Br2N3O2
- Molecular weight
- 469.17
Names & synonyms
40136-81-0Azobenzene, 4-bis(2-bromoethyl)amino-2'-carboxy-2-methyl-Benzoic acid, 2-((4-bis(2-bromoethyl)amino)-1-(o-tolyl))azo-2-[[4-[bis(2-bromoethyl)amino]-2-methylphenyl]diazenyl]benzoic acidBENZOIC ACID, 2-((4-BIS(2-BROMOETHYL)AMINO)-2-METHYL)PHENYLAZO-DTXSID0013842972-[[4-[Bis(2-bromoethyl)amino]-2-methylphenyl]azo]benzoic acidBenzoic acid, 2-[2-[4-[bis(2-bromoethyl)amino]-2-methylphenyl]diazenyl]-
Database identifiers
- CAS
40136-81-0- PubChem CID
- 38392
- DTXSID
DTXSID001384297- Nikkaji
- J41.219H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Boiling point
- 612.2 · 612.2±55.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 3.42 · 3.42±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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