2-((4-(Bis(2-iodoethyl)amino)-2-methylphenyl)diazenyl)benzoic acid
Basic information
- CAS
40136-89-8- Standard SMILES
Cc1cc(N(CCI)CCI)ccc1N=Nc1ccccc1C(=O)O- InChIKey
QFQHSEVSDPSZRN-UHFFFAOYSA-N- Molecular formula
- C18H19I2N3O2
- Average molar mass
- 563.2 g/mol
- Monoisotopic mass
- 562.95667
Names & identifiers
- Preferred name
- 2-((4-(Bis(2-iodoethyl)amino)-2-methylphenyl)diazenyl)benzoic acid
- IUPAC
- 2-[[4-[bis(2-iodoethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
- English name
- 2-[[4-[Bis(2-iodoethyl)amino]-2-methylphenyl]azo]benzoic acid
- Molecular weight
- 0
Names & synonyms
40136-89-8NSC-2404218EW6ED25L72-[[4-[bis(2-iodoethyl)amino]-2-methylphenyl]diazenyl]benzoic acid2-((4-(Bis(2-iodoethyl)amino)-2-methylphenyl)diazenyl)benzoic acidRefChem:1060519BENZOIC ACID, 2-((4-BIS(2-IODOETHYL)AMINO-2-METHYL)PHENYL)AZO-Benzoic acid, 2-[[4-[bis(2-iodoethyl)amino]-2-methylphenyl]azo]-NSC 240421Azobenzene, 4-bis(2-iodoethyl)amino-2'-carboxy-2-methyl-NSC240421Benzoic acid, 2-((4-bis(2-iodoethyl)amino)-1-(o-tolyl))azo-
Show more names
2-[[4-[Bis(2-iodoethyl)amino]-2-methylphenyl]azo]benzoic acid
DTXSID4013843062-[2-[4-[Bis(2-iodoethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Database identifiers
- CAS
40136-89-8- PubChem CID
- 38398
- DTXSID
DTXSID401384306- UNII
- 8EW6ED25L7
- Nikkaji
- J41.201E
Properties
Computed structural properties
- XLogP
- 5.9
- 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
- FDA UNII
- 8 EW6ED25L7 · 8EW6ED25L7
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Related reactions
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Compound notes
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