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1-ADAMANTANEACETONITRILE

1-ADAMANTANEACETONITRILE structure

1-ADAMANTANEACETONITRILE 

structure
  • CAS No:

    16269-13-9

  • Formula:

    C12H17N

  • Chemical Name:

    1-ADAMANTANEACETONITRILE

  • Synonyms:

    LABOTEST-BB LT00233105;IFLAB-BB F1928-0023;AKOS BB-9584;2-(1-ADAMANTYL)ACETONITRILE;1-ADAMANTANEACETONITRILE;1-ADAMANTYLACETONITRILE;TIMTEC-BB SBB001878;Tricyclo[3.3.1.13,7]decane-1-acetonitrile

1-ADAMANTANEACETONITRILE Basic Attributes

175.27

175.136093

DTXSID50167435

2926909090

Characteristics

23.8

2.97

1.061±0.06 g/cm3 (20 ºC 760 Torr)

70

295.0±9.0 °C(Predicted)

137.4±3.8 °C

1.534

Sparingly soluble in water.

0.00157mmHg at 25°C

Safety Information

III

6.1

3276

20/21/22

22-36/37

Computed Properties

Molecular Weight:175.27
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:175.136099547
Monoisotopic Mass:175.136099547
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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