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Home > Encyclopedia > 4,4-Dimethyl-5-oxopentanenitrile

4,4-Dimethyl-5-oxopentanenitrile

4,4-Dimethyl-5-oxopentanenitrile structure

4,4-Dimethyl-5-oxopentanenitrile 

structure
  • CAS No:

    6140-61-0

  • Formula:

    C7H11NO

  • Chemical Name:

    4,4-Dimethyl-5-oxopentanenitrile

  • Synonyms:

    Pentanenitrile,4,4-dimethyl-5-oxo-;Glutaraldehydonitrile,4,4-dimethyl-;Butyraldehyde,4-cyano-2,2-dimethyl-;4,4-Dimethyl-5-oxopentanenitrile;4-Cyano-2,2-dimethylbutyraldehyde;4-Cyano-2,2-dimethylbutanal;NSC 14675;NSC 33063

4,4-Dimethyl-5-oxopentanenitrile Basic Attributes

125.16800

125.17

228-125-8

33063|14675

DTXSID70210336

2926909090

Characteristics

40.86000

1.51528

0.9647 g/cm3 @ Temp: 20 °C

125-135 °C @ Press: 3 Torr

90.7ºC

1.425

Safety Information

UN 3276

20/21/22-36/37/38

26-36/37/39

Xi

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:125.17
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:125.084063974
Monoisotopic Mass:125.084063974
Topological Polar Surface Area:40.9
Heavy Atom Count:9
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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