Ethyl 3-(2-hydroxy-3-(isopropylamino)propoxy)-p-cymene-2-carboxylate - CAS 53251-86-8
Catalog: |
BB044938 |
Product Name: |
Ethyl 3-(2-hydroxy-3-(isopropylamino)propoxy)-p-cymene-2-carboxylate |
CAS: |
53251-86-8 |
Synonyms: |
p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl ester; 3-[2-Hydroxy-3-(isopropylamino)propoxy]-p-cymene-2-carboxylic acid ethyl ester; Benzoic acid, 2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-6-methyl-3-(1-methylethyl)-, ethyl ester; Ethyl 2-[2-hydroxy-3-(isopropylamino)propoxy]-3-isopropyl-6-methylbenzoate |
IUPAC Name: | ethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate |
Description: | Ethyl 3-(2-hydroxy-3-(isopropylamino)propoxy)-p-cymene-2-carboxylate (CAS# 53251-86-8 ) is a useful research chemical. |
Molecular Weight: | 337.45 |
Molecular Formula: | C19H31NO4 |
Canonical SMILES: | CCOC(=O)C1=C(C=CC(=C1OCC(CNC(C)C)O)C(C)C)C |
InChI: | InChI=1S/C19H31NO4/c1-7-23-19(22)17-14(6)8-9-16(12(2)3)18(17)24-11-15(21)10-20-13(4)5/h8-9,12-13,15,20-21H,7,10-11H2,1-6H3 |
InChI Key: | XZLBXQZCBMFFQT-UHFFFAOYSA-N |
Boiling Point: | 465.4±45.0 ℃ at 760 mmHg |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.22530847 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.22530847 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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