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4-Acetyl-4-methylheptanedinitrile

4-Acetyl-4-methylheptanedinitrile structure

CAS No:
1681-17-0
Formula:
C10H14N2O
Chemical Name:
4-Acetyl-4-methylheptanedinitrile
Synonyms:
Heptanedinitrile,4-acetyl-4-methyl-;4-Acetyl-4-methylheptanedinitrile;2,2-Bis(β-cyanoethyl)-3-butanone;4-Acetyl-4-methylpimelonitrile;NSC 2767;NSC 404930

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4-Acetyl-4-methylheptanedinitrile Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.23

UNII：

4Q44E9MB5R

NSC Number：

404930|2767

DSSTox ID：

DTXSID4075116

HScode：

2926909090

Characteristics

PSA：

64.65000

XLogP3：

-0.27

Density：

1.003±0.06 g/cm3(Predicted)

Melting Point：

67 °C

Boiling Point：

200-203 °C @ Press: 1.5 Torr

Flash Point：

184.4±26.5 °C

Refractive Index：

1.455

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22

safety instructions：

22-36/37

Computed Properties

Molecular Weight:178.23
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:178.110613074
Monoisotopic Mass:178.110613074
Topological Polar Surface Area:64.6
Heavy Atom Count:13
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: adamax; ammonium carbonate; drotaverine; gluconic acid; bioglutide; guanylate disodium

Guide of 4-Acetyl-4-methylheptanedinitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Acetyl-4-methylheptanedinitrile

SDS

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