Basic information
- CAS
53251-87-9- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)NCCCN(C)C- InChIKey
QFGAHDNFJKVAQU-UHFFFAOYSA-N- Molecular formula
- C19H30N2O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.22055744
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propylcarbamoylmethoxy)-, methyl ester
- IUPAC
- methyl 2-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[3-(Dimethylamino)propylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl ester
- Molecular formula
- C19H30N2O4
- Molecular weight
- 350.45
Names & synonyms
BRN 2773600p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propylcarbamoylmethoxy)-, methyl ester53251-87-9DTXSID10201369Benzoic acid, 2-(3-(dimethylamino)propylcarbamoylmethoxy)-3-isopropyl-6-methyl-,methyl esterRefChem:367661DTXCID60123860methyl 2-(2-{[3-(dimethylamino)propyl]amino}-2-oxoethoxy)-6-methyl-3-(propan-2-yl)benzoate3-[3-(Dimethylamino)propylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[2-[[3-(dimethylamino)propyl]amino]-2-oxoethoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
53251-87-9- PubChem CID
- 40700
- DTXSID
DTXSID10201369- Nikkaji
- J85.302J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 518.6 · 518.6±50.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 14.55 · 14.55±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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