Ethyl 4-{4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]phenyl}butanoate
Basic information
- CAS
34153-50-9- Standard SMILES
CCOC(=O)CCCc1ccc(N=NN(C)C)cc1- InChIKey
RIYTVOORXZWMJY-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.16337692
Names & identifiers
- Preferred name
- Ethyl 4-{4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]phenyl}butanoate
- IUPAC
- ethyl 4-[4-(dimethylaminodiazenyl)phenyl]butanoate
- English name
- ethyl 4-(4-dimethylaminodiazenylphenyl)butanoate
- Molecular formula
- C14H21N3O2
- Molecular weight
- 263.34
Names & synonyms
34153-50-9ethyl 4-{4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]phenyl}butanoateNSC80637CHEMBL3250782ETHYL 4-(4-DIMETHYLAMINODIAZENYLPHENYL)BUTANOATEDTXSID10292176NSC-80637Butyric acid,3-dimethyl-1-triazeno)phenyl)-, ethyl ester
Database identifiers
- CAS
34153-50-9- PubChem CID
- 255277
- DTXSID
DTXSID10292176- ChEMBL
CHEMBL3250782
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 363.399 · 363.399±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.05 · 1.050±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.476 · 1.476±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…