p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester
Basic information
- CAS
52073-31-1- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCCCN(C)C- InChIKey
FGVITAFIUFLYQJ-UHFFFAOYSA-N- Molecular formula
- C17H27NO3
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.19909372
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxy)-, methyl ester
- IUPAC
- methyl 2-[3-(dimethylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
- English name
- 3-[3-(Dimethylamino)propoxy]-p-cymene-2-carboxylic acid methyl ester
- Molecular formula
- C17H27NO3
- Molecular weight
- 293.4
Names & synonyms
52073-31-1BRN 2746074p-CYMENE-2-CARBOXYLIC ACID, 3-(3-(DIMETHYLAMINO)PROPOXY)-, METHYL ESTERMethyl 3-(3-(dimethylamino)propoxy)-p-cymene-2-carboxylateDTXSID40200067RefChem:367660DTXCID40122558methyl 2-[3-(dimethylamino)propoxy]-6-methyl-3-(propan-2-yl)benzoate3-[3-(Dimethylamino)propoxy]-p-cymene-2-carboxylic acid methyl esterBenzoic acid, 2-[3-(dimethylamino)propoxy]-6-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
52073-31-1- PubChem CID
- 40218
- DTXSID
DTXSID40200067- Nikkaji
- J85.301A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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