Basic information
- CAS
78914-75-7- Standard SMILES
CC(=O)OCc1ccc(N=Nc2ccc(N(C)C)cc2)cc1- InChIKey
VKMAIBUIQMXHTR-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2
- Average molar mass
- 297.35 g/mol
- Monoisotopic mass
- 297.14772686
Names & identifiers
- Preferred name
- Ccris 2248
- IUPAC
- [4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]methyl acetate
- English name
- 4-((4-(Dimethylamino)phenyl)azo)benzenemethanol, acetate ester
- Molecular formula
- C17H19N3O2
- Molecular weight
- 297.35
Names & synonyms
78914-75-74-((4-(Dimethylamino)phenyl)azo)benzenemethanol, acetate esterCCRIS 2248BRN 55810324-[[4-(DIMETHYLAMINO)PHENYL]AZO]BENZENEMETHANOL, ACETATE ESTERN,N-Dimethyl-4-aminoazobenzene-4'-methanol acetate ester[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]methyl acetateBenzyl alcohol, p-((p-(dimethylamino)phenyl)azo)-, acetate (ester)Benzenemethanol, 4-((4-(dimethylamino)phenyl)azo)-, acetate (ester)7ATG98Y5V5DTXSID201033012Benzenemethanol, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-, 1-acetate
Database identifiers
- CAS
78914-75-7- PubChem CID
- 149642
- DTXSID
DTXSID201033012- UNII
- 7ATG98Y5V5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Melting point
- 113 · 113-114 °C(Solvent: Ethanol)
- Boiling point
- 446.502 · 446.502±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.099 · 1.099±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.287 · 3.287±0.10(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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