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ethyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

ethyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

CAS: 950580-38-8

Formula: C12H15NO2

SMILES: CCOC(=O)[C@H]1NCCC2=CC=CC=C12

IUPAC: ethyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

InChI: InChI=1S/C12H15NO2/c1-2-15-12(14)11-10-6-4-3-5-9(10)7-8-13-11/h3-6,11,13H,2,7-8H2,1H3/t11-/m0/s1

Composition: C (70.22%), H (7.37%), N (6.82%), O (15.59%)

Molar Mass: 205.257

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 205.110278727
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OOIVWSXZWFQHQS-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.96
Topological Polar Surface Area 38.33
Polarizability 22.85
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 950580-38-8 $207.00-$5,554.50$207.00$299.00$483.00$851.00$1,587.00$5,554.50
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