Basic information
- CAS
56630-52-5- Standard SMILES
CC(C)CCCCCCCCCCCC(=O)N1CCCC1- InChIKey
DSWZMTBYDLLDNM-UHFFFAOYSA-N- Molecular formula
- C19H37NO
- Average molar mass
- 295.5 g/mol
- Monoisotopic mass
- 295.2875148
Names & identifiers
- Preferred name
- 1-(13-Methyltetradecanoyl)pyrrolidine
- IUPAC
- 13-methyl-1-pyrrolidin-1-yltetradecan-1-one
- English name
- 1-(13-Methyltetradecanoyl)pyrrolidine
- Molecular formula
- C19H37NO
- Molecular weight
- 295.5
Names & synonyms
1-(13-Methyltetradecanoyl)pyrrolidineDTXSID0034164256630-52-5RefChem:222617DTXCID20292723Pyrrolidine, 1-(13-methyl-1-oxotetradecyl)-13-methyl-1-(pyrrolidin-1-yl)tetradecan-1-oneSCHEMBL5654305DSWZMTBYDLLDNM-UHFFFAOYSA-N1-(13-Methyltetradecanoyl)pyrrolidine #13-methyl-tetradecanoic acid pyrrolidideDB-300318
Show more names
1-Tetradecanone, 13-methyl-1-(1-pyrrolidinyl)-
Database identifiers
- CAS
56630-52-5- PubChem CID
- 574644
- DTXSID
DTXSID00341642- Nikkaji
- J108.652I
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 412.9 · 412.9±14.0 °C(Predicted)
- Density
- 0.906 · 0.906±0.06 g/cm3(Predicted)
- pka
- -0.43 · -0.43±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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