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4-(Diethylamino)-2-butyn-1-ol

4-(Diethylamino)-2-butyn-1-ol structure

CAS No:
10575-25-4
Formula:
C8H15NO
Chemical Name:
4-(Diethylamino)-2-butyn-1-ol
Synonyms:
2-Butyn-1-ol,4-(diethylamino)-;4-(Diethylamino)-2-butyn-1-ol;1-(Diethylamino)-2-butyn-4-ol;1-(N,N-Diethylamino)-4-hydroxy-2-butyne
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

White Solid

4-(Diethylamino)-2-butyn-1-ol Basic Attributes

Molecular Weight：

141.21

Exact Mass：

141.21

EC Number：

234-163-6

UNII：

MA2DE62U5W

DSSTox ID：

DTXSID30147311

HScode：

2922199090

Characteristics

PSA：

23.5

XLogP3：

0.94

Appearance：

white solid

Density：

0.940 g/cm³ @ Temp: 25 °C

Boiling Point：

117 °C @ Press: 10 Torr

Flash Point：

220 °F

Refractive Index：

n 20/D 1.479(lit.)

Water Solubility：

Soluble in chloroform and ethyl acetate. Soluble in water 11 g/L @25°C.

Vapor Pressure：

0.0209mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (27.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 61 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

4-(diethylamino)but-2-yn-1-ol is a known human metabolite of (s)-oxybutynin.

4-(Diethylamino)-2-butyn-1-ol Use and Manufacturing

An impurity of Oxybutynin.

Computed Properties

Molecular Weight:141.21
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:141.115364102
Monoisotopic Mass:141.115364102
Topological Polar Surface Area:23.5
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(Diethylamino)-2-butyn-1-ol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

4-(Diethylamino)-2-butyn-1-ol

SDS

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