Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester
Basic information
- CAS
78329-84-7- Standard SMILES
CCCCOc1ccc(C(=O)OCCN(CC)CCO)cc1- InChIKey
KAUMHPBUKFASKC-UHFFFAOYSA-N- Molecular formula
- C17H27NO4
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.19400834
Names & identifiers
- Preferred name
- Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester
- IUPAC
- 2-[ethyl(2-hydroxyethyl)amino]ethyl 4-butoxybenzoate
Names & synonyms
BRN 336171878329-84-7BENZOIC ACID, 4-BUTOXY-, 2-(ETHYL(2-HYDROXYETHYL)AMINO)ETHYL ESTERbeta-(N-Ethyl-N-beta-hydroxyethylamino)ethyl 4-n-butoxybenzoate4-Butoxybenzoic acid 2-(ethyl(2-hydroxyethyl)amino)ethyl esterDTXSID802289873-10-00-00329 (Beilstein Handbook Reference)RefChem:327541DTXCID301514782-[ethyl(2-hydroxyethyl)amino]ethyl 4-butoxybenzoate
Database identifiers
- CAS
78329-84-7- PubChem CID
- 54174
- DTXSID
DTXSID80228987- Nikkaji
- J73.895F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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