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1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98

1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98 structure

CAS No:
2802-08-6
Formula:
C6H11NO
Chemical Name:
1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98
Synonyms:
1-Dimetylamino-but-1-en-3-one;4-(diMethylaMino)but-3-en-2-one;1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98;1-DIMETHYLAMINO-BUT-1-EN-3-ONE98%;3-Buten-2-one,4-(diMethylaMino)-,(3E)-;trans-4-(DiMethylaMino)-3-buten-2-one97%;3-Buten-2-one,4-(dimethylamino)-,(3E)-(9CI)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR REDDISH-BROWN TO DARK BROWN LIQUID

1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98 Basic Attributes

Molecular Weight：

113.15800

Exact Mass：

113.08400

HScode：

29223900

Characteristics

PSA：

20.31000

XLogP3：

0.3

Appearance：

clear reddish-brown to dark brown liquid

Density：

0.901g/cm3

Boiling Point：

169.2ºC at 760mmHg

Flash Point：

54.3ºC

Refractive Index：

n20/D 1.557(lit.)

Vapor Pressure：

1.56mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98 Use and Manufacturing

trans-4-(Dimethylamino)-3-buten-2-one is an reagent used in the synthetic preparation of various substances.

Computed Properties

Molecular Weight:113.16
XLogP3:0.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:20.3
Heavy Atom Count:8
Complexity:105
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98

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Guide of 1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98

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

1-DIMETHYLAMINO-BUT-1-EN-3-ONE,98

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