Basic information
- CAS
96004-78-3- Standard SMILES
CCCN(CCCCOC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)Cc1ccc(O)c(O)c1- InChIKey
MTEKJUQZXSIOQR-UHFFFAOYSA-N- Molecular formula
- C26H37NO7
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.25700252
Names & identifiers
- Preferred name
- o-Catechol, 4-(2-(N-propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl)amino)propyl)-
- IUPAC
- 4-[1-(3,4-dihydroxyphenyl)propan-2-yl-propylamino]butyl 3,4,5-trimethoxybenzoate
Names & synonyms
1,2-Benzenediol, 4-(2-(N-propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl)amino)propyl)-o-CATECHOL, 4-(2-(N-PROPYL-N-(4-(3,4,5-TRIMETHOXYBENZOYLOXY)BUTYL)AMINO)PROPYL)-96004-78-34-(2-(N-Propyl-N-(4-(3,4,5-trimethoxybenzoyloxy)butyl)amino)propyl)-o-catecholRefChem:366393DTXSID409146924-{[1-(3,4-Dihydroxyphenyl)propan-2-yl](propyl)amino}butyl 3,4,5-trimethoxybenzoate
Database identifiers
- CAS
96004-78-3- PubChem CID
- 57003
- DTXSID
DTXSID40914692- Nikkaji
- J72.673G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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