Basic information
- CAS
37627-60-4- Standard SMILES
CCCCN1CCC(CC(C)C)(c2cccc(O)c2)C1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
LGFOLNFGLDTRHB-UHFFFAOYSA-N- Molecular formula
- C24H37NO8
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.25191714
Names & identifiers
- Preferred name
- Phenol, 3-(1-butyl-3-isobutyl-3-pyrrolidinyl)-, citrate
- IUPAC
- 3-[1-butyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
3-(1-Butyl-3-isobutyl-3-pyrrolidinyl)phenol citrate37627-60-4Phenol, 3-(1-butyl-3-isobutyl-3-pyrrolidinyl)-, citratePyrrolidine, 1-butyl-3-(m-hydroxyphenyl)-3-isobutyl-, citrateRefChem:369109DTXSID409586722-Hydroxypropane-1,2,3-tricarboxylic acid--3-[1-butyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol (1/1)
Database identifiers
- CAS
37627-60-4- PubChem CID
- 216705
- DTXSID
DTXSID40958672
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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