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Structure

2(1H)-Isoquinolinecarboxylicacid,6-cyano-3,4-dihydro-,1,1-dimethylethyl ester

CAS
166398-33-0
Catalog Number
ACM166398330
Category
Other Products
Molecular Weight
258.32
Molecular Formula
C15H18N2O2

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Specification

Synonyms
166398-33-0, tert-butyl 6-cyano-3,4-dihydroisoquinoline-2(1H)-carboxylate, AG-E-15882, Tert-butyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate, SureCN451998, CTK4D2329, MolPort-009-196-006, ANW-55542, ZINC38777776, AKOS005765992, FE-0775, MCULE-2365964256, RP14641, AK-63094, KB-61329, FT-0682013, tertbutylcyanotetrahydroisoquinolinecarboxylate, 2-BOC-6-CYANO-3,4-DIHYDROISOQUINOLINE, A810729, I14-16047
IUPAC Name
tert-butyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C#N
InChI Key
AEGRRYPLKCPBBE-UHFFFAOYSA-N
Boiling Point
386.817ºC at 760 mmHg
Flash Point
187.74ºC
Density
1.163g/cm³
Exact Mass
258.13700
H-Bond Acceptor
3
H-Bond Donor
0
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