butyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

CAS: 36769-46-7

Molecular Formula	`C15H21NO4`
Molecular Weight	279.33 g/mol
LogP	1.7
Topological Polar Surface Area	70.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	279.14706
Heavy Atoms	20
Complexity	336.0

Chemical Identifiers

CAS Number	36769-46-7
SMILES	`CCCCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O`
InChIKey	`KOCYRMKHWUYSTF-UHFFFAOYSA-N`

📖 Product Overview

butyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate (CAS: 36769-46-7) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.33 g/mol. Its IUPAC systematic name is butyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate. LogP 1.7 Topological Polar Surface Area 70.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 279.14706 Heavy Atoms 20 Complexity 336.0 InChI Key: KOCYRMKHWUYSTF-UHFFFAOYSA-N. SMILES: CCCCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O.

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