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

Catalog Number

ACM166398330

Product Name

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

Structure

CAS

166398-33-0

Category

Heterocyclic Organic Compound

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

Molecular Weight

258.32

Molecular Formula

C₁₅H₁₈N₂O₂

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

MSDS

COA

Spec Sheet