Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate
Basic information
- CAS
1505-33-5- Standard SMILES
CCCC1(c2cccc(OC(=O)C(C)C)c2)CCN(C)C1- InChIKey
MJMYFJLOESUOLS-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Names & identifiers
- Preferred name
- Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate
- IUPAC
- [3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] 2-methylpropanoate
- English name
- Isobutyric acid 3-(1-methyl-3-propyl-3-pyrrolidinyl)phenyl ester
- Molecular formula
- C18H27NO2
- Molecular weight
- 289.41
Names & synonyms
1505-33-5Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrateRefChem:1094926[3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] 2-methylpropanoate3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl isobutyrateIsobutyric acid 3-(1-methyl-3-propyl-3-pyrrolidinyl)phenyl esterBRN 13879133-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol isobutyrate1-Methyl-3-(m-2-methylpropionoxyphenyl)-3-propylpyrrolidinePhenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyratestarbld00378883-(3-(1-Methyl-3-propyl)pyrrolidyl)phenyl 2-methylpropionate
Show more names
3-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol=2-methylpropionatePropanoic acid, 2-methyl-, 3-(1-methyl-3-propyl-3-pyrrolidinyl)phenyl ester
m-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol 2-methylpropionate2-Methylpropionic acid 3-(1-methyl-3-propyl-3-pyrrolidyl)phenyl esterorb1985456DTXSID609339663-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl 2-methylpropanoateAKOS040753511T34000
Database identifiers
- CAS
1505-33-5- PubChem CID
- 200294
- DTXSID
DTXSID60933966- Nikkaji
- J40.742I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 383 · 383.0±35.0 °C(Predicted)
- Density
- 1.006 · 1.006±0.06 g/cm3(Predicted)
- pka
- 9.89 · 9.89±0.40(Predicted)
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Related reactions
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Compound notes
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