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4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile structure

CAS No:
103146-25-4
Formula:
C20H23FN2O2
Chemical Name:
4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
Synonyms:
Benzonitrile,4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-;4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;Citadiol;4-[4-(Dimethylamino)-1-(4′-fluorophenyl)-1-[hydroxy]butyl]-3-(hydroxymethyl)benzonitrile
Categories:
Organic Chemistry > Organic Fluorine Compound

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4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Basic Attributes

Molecular Weight：

342.41

Exact Mass：

342.41

EC Number：

430-780-1

HScode：

2926909090

Characteristics

PSA：

67.5

XLogP3：

2.2

Appearance：

White solid

Density：

1.2±0.1 g/cm3

Boiling Point：

537.231°C at 760 mmHg

Flash Point：

278.7±30.1 °C

Refractive Index：

1.598

Vapor Pressure：

0mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Transport codes：

3077

hazard class code：

Precautionary statement(s)：

P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 3 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

citadiol

Computed Properties

Molecular Weight:342.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:342.17435614
Monoisotopic Mass:342.17435614
Topological Polar Surface Area:67.5
Heavy Atom Count:25
Complexity:456
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

CAS No.: 103146-25-4

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Guide of 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

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