6-Isoquinolineaceti...

6-Isoquinolineaceticacid, 3-ethoxy-1,4-dihydro-7-methyl-, ethyl ester(CAS No. 55329-71-0)

6-Isoquinolineaceticacid, 3-ethoxy-1,4-dihydro-7-methyl-, ethyl ester(CAS No. 55329-71-0)

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6-Isoquinolineaceticacid, 3-ethoxy-1,4-dihydro-7-methyl-, ethyl ester 55329-71-0 98%

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  • Appearance:Solid
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Details:

【Name】
6-Isoquinolineaceticacid, 3-ethoxy-1,4-dihydro-7-methyl-, ethyl ester
【Iupac name】
ethyl 2-(3-ethoxy-7-methyl-1,4-dihydroisoquinolin-6-yl)acetate
【CAS Registry number】
55329-71-0
【Synonyms】
6-Carbethoxymethyl-3-ethoxy-7-methyl-1,4-dihydroisoquinoline
NSC 295753
【Molecular Formula】
C16H21 N O3 (Products with the same molecular formula)
【Molecular Weight】
275.3428
【Inchi】
InChI=1/C16H21NO3/c1-4-19-15-8-13-7-12(9-16(18)20-5-2)11(3)6-14(13)10-17-15/h6-7H,4-5,8-10H2,1-3H3
【Canonical SMILES】
CCOC1=NCC2=CC(=C(C=C2C1)CC(=O)OCC)C
Chemical and Physical Properties
【Density】
1.12g/cm3
【Boiling Point】
390.2°C at 760 mmHg
【Refractive Index】
1.542
【Flash Point】
157.5°C
【Computed Properties】
Molecular Weight:275.34284 [g/mol]
Molecular Formula:C16H21NO3
XLogP3-AA:2.2
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:6
Exact Mass:275.152144
MonoIsotopic Mass:275.152144
Topological Polar Surface Area:47.9
Heavy Atom Count:20
Formal Charge:0
Complexity:367
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:6.4
Conformer Sampling RMSD:0.8
CID Conformer Count:69

 

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