Basic information
- CAS
32640-58-7- Standard SMILES
CCCCN(C)N=Nc1ccc(CCC(=O)OCC)cc1- InChIKey
HLPFYIUMBRMITH-UHFFFAOYSA-N- Molecular formula
- C16H25N3O2
- Average molar mass
- 291.39 g/mol
- Monoisotopic mass
- 291.19467705
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 4-(3-butyl-3-methyl-1-triazenyl)-, ethyl ester
- IUPAC
- ethyl 3-[4-[[butyl(methyl)amino]diazenyl]phenyl]propanoate
Names & synonyms
Benzenepropanoic acid, 4-(3-butyl-3-methyl-1-triazenyl)-, ethyl esterNSC-77587NSC 77587BRN 1822477p-(3-Butyl-3-methyl-1-triazeno)hydrocinnamic acid ethyl ester4-(3-Butyl-3-methyl-1-triazenyl)benzenepropanoic acid ethyl esterHydrocinnamic acid, p-(3-butyl-3-methyl-1-triazeno)-, ethyl esterNCIOpen2_0045014CNQ5A299SCHEMBL3250805NSC77587DS-010208
Show more names
Ethyl 4-(3-butyl-3-methyl-1-triazen-1-yl)benzenepropanoateBenzenepropanoic acid, 4-(3-butyl-3-methyl-1-triazen-1-yl)-, ethyl ester
Database identifiers
- CAS
32640-58-7- PubChem CID
- 64864
- ChEMBL
CHEMBL3250805- UNII
- 4CNQ5A299S
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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