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Methyl 1,2,3,4-Tetrahydroisoquinoline-1-carboxylate

Methyl 1,2,3,4-Tetrahydroisoquinoline-1-carboxylate - CAS 32909-74-3

Catalog:	BB021480
Product Name:	Methyl 1,2,3,4-Tetrahydroisoquinoline-1-carboxylate
CAS:	32909-74-3
Synonyms:	1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid methyl ester; methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Description:	Methyl 1,2,3,4-Tetrahydroisoquinoline-1-carboxylate (CAS# 32909-74-3 ) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	COC(=O)C1C2=CC=CC=C2CCN1
InChI:	InChI=1S/C11H13NO2/c1-14-11(13)10-9-5-3-2-4-8(9)6-7-12-10/h2-5,10,12H,6-7H2,1H3
InChI Key:	XUDOBPOVDNLWQF-UHFFFAOYSA-N
LogP:	1.37520

Publication Number	Title	Priority Date
WO-2018047983-A1	Indane derivatives useful as modulators of mglur7	20160907
US-2016272636-A1	Crystal form of (r)-praziquantel and preparation method and application thereof	20131017
US-2017121330-A1	Process and intermediates for the synthesis of (r)-praziquantel	20131017
US-9657017-B2	Crystal form of (R)-praziquantel and preparation method and application thereof	20131017
US-9802934-B2	Process for the synthesis of (R)-praziquantel	20131017

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4