Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-
Basic information
- CAS
36894-63-0- Standard SMILES
CN1CCC(CC(C)(C)C)(c2cccc(O)c2)C1- InChIKey
KKDBMZZXJQGCGF-UHFFFAOYSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
- Monoisotopic mass
- 247.19361442
Names & identifiers
- Preferred name
- Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-
- IUPAC
- 3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol
- English name
- 3-[3-(2,2-Dimethylpropyl)-1-methyl-3-pyrrolidinyl]phenol
- Molecular formula
- C16H25NO
- Molecular weight
- 247.38
Names & synonyms
36894-63-0Phenol, m-(1-methyl-3-neopentyl-3-pyrrolidinyl)-BRN 1465106m-(1-Methyl-3-neopentyl-3-pyrrolidinyl)phenolPyrrolidine, 3-(m-hydroxyphenyl)-1-methyl-3-neopentyl-Phenol, 3-(3-(2,2-dimethylpropyl)-1-methyl-3-pyrrolidinyl)-RefChem:3693663-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol3-(1-Methyl-3-neopentylpyrrolidin-3-yl)phenolstarbld0028873orb1985460DTXSID80958090
Show more names
Phenol, 3-[3-(2,2-dimethylpropyl)-1-methyl-3-pyrrolidinyl]-
3-[3-(2,2-Dimethylpropyl)-1-methyl-3-pyrrolidinyl]phenolAKOS040753507T33996
Database identifiers
- CAS
36894-63-0- PubChem CID
- 115759
- DTXSID
DTXSID80958090- Nikkaji
- J50.157C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 355.2 · 355.2±35.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…