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2-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile

2-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile structure

CAS No:
23051-44-7
Formula:
C12H14N2
Chemical Name:
2-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile
Synonyms:
Propanedinitrile,2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-;2-Cyclohexene-Δ1,α-malononitrile,3,5,5-trimethyl-;Propanedinitrile,(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-;2-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile;3-Dicyanomethylene-1,5,5-trimethylcyclohex-1-ene;2-(3,5,5-Trimethylcyclohex-2-ene-1-ylidene)-1,3-propanedinitrile;2-(3,5,5-Trimethyl-2-cyclohexenylidene)malononitrile;NSC 174848;(3,5,5-Trimethylcyclohex-2-enylidene)malononitrile;3-Dicyanomethylidene-1,5,5-trimethylcyclohexene;2-(3,5,5-Trimethylcyclohex-2-en-1-ylidene)malononitrile;758722-74-6

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2-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile Basic Attributes

Molecular Weight：

186.25300

Exact Mass：

186.25

NSC Number：

174848

DSSTox ID：

DTXSID1073440

HScode：

2926909090

Characteristics

PSA：

47.58000

XLogP3：

3.09646

Density：

1.007g/cm3

Melting Point：

79-80 °C

Boiling Point：

175-176 °C @ Press: 19 Torr

Flash Point：

136.4ºC

Refractive Index：

1.502

Vapor Pressure：

0.000654mmHg at 25°C

Safety Information

hazard class code：

R22; R43

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:186.25
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:186.115698455
Monoisotopic Mass:186.115698455
Topological Polar Surface Area:47.6
Heavy Atom Count:14
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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