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2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile

2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile structure

CAS No:
20850-49-1
Formula:
C13H17NO2
Chemical Name:
2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile
Synonyms:
Benzeneacetonitrile,3,4-dimethoxy-α-(1-methylethyl)-;Butyronitrile,2-(3,4-dimethoxyphenyl)-3-methyl-;3,4-Dimethoxy-α-(1-methylethyl)benzeneacetonitrile;2-(3,4-Dimethoxyphenyl)-3-methylbutyronitrile;2-(3,4-Dimethoxyphenyl)-2-isopropylacetonitrile;α-Isopropylveratryl cyanide;(±)-2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile;(±)-3,4-Dimethoxy-α-isopropylbenzeneacetonitrile;α-Isopropylhomoveratronitrile;Isopropyl(3,4-dimethoxyphenyl)acetonitrile;2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile;3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile;130209-37-9
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile Basic Attributes

Molecular Weight：

219.28

Exact Mass：

219.28

EC Number：

244-082-8

HScode：

2926909090

Characteristics

PSA：

42.25000

XLogP3：

2.96698

Appearance：

Pale yellow solid

Density：

1.023±0.06 g/cm3

Melting Point：

49-51 °C

Boiling Point：

160-166 °C @ Press: 6 Torr

Flash Point：

114.5ºC

Refractive Index：

1.499

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Danger|H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:219.28
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:219.125928785
Monoisotopic Mass:219.125928785
Topological Polar Surface Area:42.2
Heavy Atom Count:16
Complexity:256
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile

CAS No.: 20850-49-1

Content: 99.00%

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Guide of 2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile

Basic Attributes
Characteristics
Safety Information
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