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3-(DIMETHYLAMINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE

3-(DIMETHYLAMINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE structure

CAS No:
31039-88-0
Formula:
C10H17NO
Chemical Name:
3-(DIMETHYLAMINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE
Synonyms:
3-(Dimethylamino)-5,5-dimethyl-2-cyclohexen-1-one;3-(dimethylamino)-5,5-dimethylcyclohex-2-en-1-one;2-Cyclohexenone,3-(N,N-dimethylamino)-5,5-dimethyl-;ACMC-1ADZ1;3-(Dimethylamino)-5,5-dimethylcyclohex-2-enone;5,5-Dimethyl-3-(N,N-dimethylamino)cyclohex-2-enone;SCHEMBL2796323;CTK4G6313;DTXSID40185002;ZINC4556061

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3-(DIMETHYLAMINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE Basic Attributes

Molecular Weight：

167.25

Exact Mass：

167.13100

DSSTox ID：

DTXSID40185002

Characteristics

PSA：

20.3

XLogP3：

1.82100

Density：

0.96g/cm3

Melting Point：

95-96 °C(lit.)

Boiling Point：

233ºC at 760mmHg

Flash Point：

72.6ºC

Refractive Index：

1.491

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.25
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:167.131014166
Monoisotopic Mass:167.131014166
Topological Polar Surface Area:20.3
Heavy Atom Count:12
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(DIMETHYLAMINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(DIMETHYLAMINO)-5,5-DIMETHYL-2-CYCLOHEXEN-1-ONE

SDS

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