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ethyl 5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

ethyl 5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

CAS: 198021-01-1

Formula: C14H19NO4

SMILES: CCOC(=O)C1CC2=C(CN1)C(OC)=CC=C2OC

IUPAC: ethyl 5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

InChI: InChI=1/C14H19NO4/c1-4-19-14(16)11-7-9-10(8-15-11)13(18-3)6-5-12(9)17-2/h5-6,11,15H,4,7-8H2,1-3H3

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.131408096
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HFXHWECLNXQJID-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.89
Topological Polar Surface Area 56.79
Polarizability 27.98
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 198021-01-1 $385.02-$1,239.93$385.02$1,239.93
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 198021-01-1 $290.95-$979.80$290.95$979.80
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