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α,α-Dibutylbenzeneacetonitrile

α,α-Dibutylbenzeneacetonitrile structure

CAS No:
3508-99-4
Formula:
C16H23N
Chemical Name:
α,α-Dibutylbenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,α,α-dibutyl-;Hexanenitrile,2-butyl-2-phenyl-;α,α-Dibutylbenzeneacetonitrile;2-Butyl-2-phenylhexanenitrile;2-Butyl-2-phenylhexanonitrile;5-Cyano-5-phenylnonane;NSC 39464

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α,α-Dibutylbenzeneacetonitrile Basic Attributes

Molecular Weight：

229.36 g/mol

Exact Mass：

229.36

NSC Number：

39464

DSSTox ID：

DTXSID30284871

Characteristics

PSA：

23.8 Å²

Boiling Point：

172-175 °C @ Press: 25 Torr

Computed Properties

Molecular Weight:229.36
XLogP3:5.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:229.183049738
Monoisotopic Mass:229.183049738
Topological Polar Surface Area:23.8
Heavy Atom Count:17
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: etoac; 1-hexanol; formula nitrite; borane; isopropyl alcohol formula; sulfur trioxide formula

Guide of α,α-Dibutylbenzeneacetonitrile

Basic Attributes
Characteristics
Computed Properties

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