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Home > Encyclopedia > 2,2-Dipropylpentanenitrile

2,2-Dipropylpentanenitrile

2,2-Dipropylpentanenitrile structure

2,2-Dipropylpentanenitrile 

structure
  • CAS No:

    5340-48-7

  • Formula:

    C11H21N

  • Chemical Name:

    2,2-Dipropylpentanenitrile

  • Synonyms:

    Pentanenitrile,2,2-dipropyl-;Valeronitrile,2,2-dipropyl-;2,2-Dipropylpentanenitrile;Tripropylacetonitrile;2,2-Dipropylvaleronitrile;4-Cyano-4-propylheptane;NSC 915

2,2-Dipropylpentanenitrile Basic Attributes

167.296

167.29

226-279-0

GE87M2OA61

915

DTXSID30201563

Characteristics

23.8

4.1

0.821±0.06 g/cm3(Predicted)

70 °C @ Press: 2 Torr

Safety Information

P264, P270, P301+P310, P321, P330, P405, P501

H301

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2,2-Dipropylpentanenitrile Use and Manufacturing

2,2-Dipropylvaleronitrile, is an impurity of Valproic Acid (V094750), an antiepileptic; anticonvulsant that also acts as a mood stabilizer for those with bipolar disorder.

Computed Properties

Molecular Weight:167.29
XLogP3:4.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:167.167399674
Monoisotopic Mass:167.167399674
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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