Basic information
- CAS
73713-57-2- Standard SMILES
CCCCOc1ccccc1C(=O)OCCN1CCCC1- InChIKey
KQESKWPZXUYZEE-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Names & identifiers
- Preferred name
- Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester
- IUPAC
- 2-pyrrolidin-1-ylethyl 2-butoxybenzoate
- English name
- 2-(1-Pyrrolidinyl)ethyl=o-butoxybenzoate
- Molecular formula
- C17H25NO3
- Molecular weight
- 291.39
Names & synonyms
2-(Pyrrolidinyl)ethyl o-butoxybenzoateBENZOIC ACID, o-BUTOXY-, 2-(PYRROLIDINYL)ETHYL ESTERD-64073713-57-2DTXSID70224014RefChem:327779DTXCID701465052-(pyrrolidin-1-yl)ethyl 2-butoxybenzoate2-(1-Pyrrolidinyl)ethyl=o-butoxybenzoateBenzoic acid, 2-butoxy-, 2-(1-pyrrolidinyl)ethyl ester
Database identifiers
- CAS
73713-57-2- PubChem CID
- 52257
- DTXSID
DTXSID70224014- Nikkaji
- J86.113H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…