Basic information
- CAS
65122-44-3- Standard SMILES
CC(=O)O.Nc1cccc(N=Nc2ccc(N)cc2N)c1- InChIKey
AHQBRNKSJWJUKC-UHFFFAOYSA-N- Molecular formula
- C14H17N5O2
- Average molar mass
- 287.32 g/mol
- Monoisotopic mass
- 287.1382248
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 4-[2-(3-aminophenyl)diazenyl]-, acetate (1:1)
- IUPAC
- acetic acid;4-[(3-aminophenyl)diazenyl]benzene-1,3-diamine
Names & synonyms
65122-44-3EINECS 265-489-7m-Phenylenediamine, 4-((m-aminophenyl)azo)-, monoacetate1,3-Benzenediamine, 4-((3-aminophenyl)azo)-, monoacetate1,3-Benzenediamine, 4-[(3-aminophenyl)azo]-, monoacetate1,3-Benzenediamine, 4-(2-(3-aminophenyl)diazenyl)-, acetate (1:1)1,3-Benzenediamine, 4-[2-(3-aminophenyl)diazenyl]-, acetate (1:1)RefChem:4128354-((3-Aminophenyl)azo)benzene-1,3-diamine monoacetateDTXSID9070240AHQBRNKSJWJUKC-UHFFFAOYSA-NNS00088295
Show more names
Acetic acid--4-[(3-aminophenyl)diazenyl]benzene-1,3-diamine (1/1)
Database identifiers
- CAS
65122-44-3- PubChem CID
- 103243
- DTXSID
DTXSID9070240- EC Number
- 265-489-7
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediamine, 4-[2-(3-aminophenyl)diazenyl]-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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