3-(3,3-Dimethyl-1-triazen-1-yl)benzoic acid
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Basic information
- CAS
20241-07-0- Standard SMILES
CN(C)N=Nc1cccc(C(=O)O)c1- InChIKey
BCPNATPABYLXNW-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Names & identifiers
- Preferred name
- 3-(3,3-Dimethyl-1-triazen-1-yl)benzoic acid
- IUPAC
- 3-(dimethylaminodiazenyl)benzoic acid
- English name
- 3-(3,3-Dimethyl-1-triazeno)benzoic acid
- Molecular formula
- C9H11N3O2
- Molecular weight
- 193.2
Names & synonyms
20241-07-0RefChem:10666353-(3,3-Dimethyl-1-triazen-1-yl)benzoic acid1-(3-Carboxyphenyl)-3,3-dimethyltriazene3-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoic acidm-(3,3-Dimethyltriazeno)benzoic acidNSC 186033BRN 18419061-(m-Carboxyphenyl)-3,3-dimethyltriazeneBenzoic acid, m-(3,3-dimethyl-1-triazeno)-Triazene, 1-(m-carboxyphenyl)-3,3-dimethyl-Benzoic acid, 3-(3,3-dimethyl-1-triazenyl)-
Show more names
Benzoic acid, 3-(3,3-dimethyl-1-triazen-1-yl)-
BENZOIC ACID, m-(3,3-DIMETHYLTRIAZENO)-NSC1860333-(3,3-Dimethyl-1-triazeno)benzoic acidOprea1_097435SCHEMBL971831SCHEMBL10612767DTXSID60879491STK017743
Database identifiers
- CAS
20241-07-0- PubChem CID
- 30077
- DTXSID
DTXSID60879491- Nikkaji
- J42.698I
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
LogP-0.38
Physicochemical properties
- Boiling point
- 341.2 · 341.2±44.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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