1-(4-Methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline - CAS 51072-36-7
Catalog:
BB027320
Product Name:
1-(4-Methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
CAS:
51072-36-7
Synonyms:
1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline; 1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline
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BB027320
1 g
$1999
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IUPAC Name: 1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline
Description: 1-(4-Methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline (CAS# 51072-36-7 ) is a useful research chemical.
Molecular Weight: 257.37
Molecular Formula: C17H23NO
Canonical SMILES: COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2
InChI: InChI=1S/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3
InChI Key: NPEVCJZMQGZNET-UHFFFAOYSA-N
LogP: 3.79900
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
CN-112159356-A Racemization recovery method of dextromethorphan hydrobromide intermediate byproduct 20201009
CN-110643650-A Preparation method of (S) -1-benzyl-1, 2,3,4,5,6,7, 8-octahydroisoquinoline compound 20190920
US-2021087595-A1 Method for preparing (s)-1-benzyl-1,2,3,4,5,6,7,8-octahydroisoquinoline compound 20190920
CN-110483395-B Purification method for salifying 1- (4-methoxybenzyl) -3,4,5,6,7, 8-hexahydroisoquinoline 20190819
CN-110407746-A The method for splitting by-product using microreactor racemization recycling dextromethorphan chiral intermediate 20190813
Complexity: 328
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 257.177964357
Formal Charge: 0
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 257.177964357
Rotatable Bond Count: 3
Topological Polar Surface Area: 21.3 Å2
Undefined Atom Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
XLogP3: 2.9
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