3-(2-(4-(Dimethylamino)phenyl)diazenyl)benzoic acid
Basic information
- CAS
20691-84-3- Standard SMILES
CN(C)c1ccc(N=Nc2cccc(C(=O)O)c2)cc1- InChIKey
JAMPLPMVLCTBSB-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.11642672
Names & identifiers
- Preferred name
- 3-(2-(4-(Dimethylamino)phenyl)diazenyl)benzoic acid
- IUPAC
- 3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
- English name
- m-Methyl red
- Molecular formula
- C15H15N3O2
- Molecular weight
- 269.3
Names & synonyms
20691-84-3RefChem:10664673-(2-(4-(Dimethylamino)phenyl)diazenyl)benzoic acidm-Methyl red3'-Carboxy-4-dimethylaminoazobenzene3-((4-(Dimethylamino)phenyl)diazenyl)benzoic acid3-((p-(Dimethylamino)phenyl)azo)benzoic acidMFCD00059641Benzoic acid, 3-[2-[4-(dimethylamino)phenyl]diazenyl]-3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acidBenzoic acid, m-((p-(dimethylamino)phenyl)azo)-(E)-3-((4-(dimethylamino)phenyl)diazenyl)benzoic acid
Show more names
3-Methylredn-Methylred3’-carboxy-4-dimethylaminoazobenzenep-Dimethylaminoazo benzene-m-carboxylm-((p-(dimethylamino)phenyl)azo)-benzoicaci3-((p-(dimethylamino)phenyl)azo)benzoicacid3-((4-(Dimethylamino)phenyl)azo)benzoic acidp-Dimethylaminoazobenzene-m-carboxylic acid
190437-77-5BRN 1843300Benzoic acid, 3-[[4-(dimethylamino)phenyl]azo]-4-Dimethylaminoazobenzene-3'-carboxylic AcidSCHEMBL22974899SCHEMBL31218161DTXSID101031332AKOS015902958
Database identifiers
- CAS
20691-84-3- PubChem CID
- 30230
- DTXSID
DTXSID101031332- Nikkaji
- J36.021J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 207 · 207-208 °C
- Boiling point
- 412.44 °C · 412.44°C (rough estimate)
- Density
- 1.1385 · 1.1385 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- pka
- 3.86 · 3.86±0.10(Predicted)
- form
- powder to crystal
- color
- Orange to Brown
- RTECS
- 8959500 · DG8959500
- HS Code
- 2927 · 2927.00.5000
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
- rtecs
- DG8959500
- hs_code
- 2927.00.5000
Chemistry & industry
Applications
Usesm-Methyl red is a biological material or organic compound that can be used in life science research[1][2].
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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