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α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile

α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile structure

CAS No:
1020719-31-6
Formula:
C15H13D6NO2
Chemical Name:
α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,α-(1-hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxy-;α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile

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Description

White Powder

α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile Basic Attributes

Molecular Weight：

265.38

Exact Mass：

251.179

DSSTox ID：

DTXSID80661875

Characteristics

PSA：

53.2

XLogP3：

3.1

Melting Point：

115-118°C

α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile Use and Manufacturing

A deuterated intermediate in the synthesis ofthe metabolite of Venlafaxine, a selective serotonin noradrenaline reuptake inhibitor.Used as an antidepressant

Computed Properties

Molecular Weight:251.35
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:251.179239325
Monoisotopic Mass:251.179239325
Topological Polar Surface Area:53.2
Heavy Atom Count:18
Complexity:306
Isotope Atom Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxybenzeneacetonitrile

SDS

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