p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester

HCID 40697

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Basic information

CAS: 53251-84-6
Standard SMILES: CCCCOC(=O)c1c(C)ccc(C(C)C)c1OCCN(C)C
InChIKey: FXZFKDKFRLPXDC-UHFFFAOYSA-N
Molecular formula: C19H31NO3
Average molar mass: 321.5 g/mol
Monoisotopic mass: 321.23039385

Names & identifiers

Preferred name: p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethoxy)-, butyl ester
IUPAC: butyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
English name: 3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid butyl ester
Molecular formula: C19H31NO3
Molecular weight: 321.45

Names & synonyms

53251-84-6BRN 2751299p-CYMENE-2-CARBOXYLIC ACID, 3-(2-(DIMETHYLAMINO)ETHOXY)-, BUTYL ESTERButyl 3-(2-(dimethylamino)ethoxy)-p-cymene-2-carboxylateDTXSID50201368RefChem:367636DTXCID50123859butyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(propan-2-yl)benzoate3-[2-(Dimethylamino)ethoxy]-p-cymene-2-carboxylic acid butyl esterBenzoic acid, 2-[2-(dimethylamino)ethoxy]-6-methyl-3-(1-methylethyl)-, butyl ester

Database identifiers

CAS: 53251-84-6
PubChem CID: 40697
DTXSID: DTXSID50201368
Nikkaji: J85.294E

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 23
Formal charge: 0
Complexity: 344

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