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2-Methyl-2-Propanyl 1-[(2-Methyl-2-Propanyl)Oxy]-2(1H)-Isoquinolinecarboxylate
[CAS# 404586-94-3]

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Identification
Name 2-Methyl-2-Propanyl 1-[(2-Methyl-2-Propanyl)Oxy]-2(1H)-Isoquinolinecarboxylate
Synonyms 1-tert-Butoxy-2-butoxycarbonyl-1,2-dihydroisoquinoline; BBDI; BOC-1-TERT-BUTOXY-1,2-DIHYDROISOQUINOLIN
Molecular Structure CAS#: 404586-94-3, 2-Methyl-2-Propanyl 1-[(2-Methyl-2-Propanyl)Oxy]-2(1H)-Isoquinolinecarboxylate
Molecular Formula C18H25NO3
Molecular Weight 303.40
CAS Registry Number 404586-94-3
SMILES O=C(OC(C)(C)C)N2/C=C\c1c(cccc1)C2OC(C)(C)C
InChI 1S/C18H25NO3/c1-17(2,3)21-15-14-10-8-7-9-13(14)11-12-19(15)16(20)22-18(4,5)6/h7-12,15H,1-6H3
InChIKey RKFZTABXZXYIOJ-UHFFFAOYSA-N
Properties
Density 1.091g/cm3 (Cal.)
Boiling point 412.882°C at 760 mmHg (Cal.)
Flash point 203.504°C (Cal.)
Refractive index 1.543 (Cal.)
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