α,α,γ-Trimethylbenzenebutanenitrile
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α,α,γ-Trimethylbenzenebutanenitrile
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CAS No:
75490-39-0
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Formula:
C13H17N
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Chemical Name:
α,α,γ-Trimethylbenzenebutanenitrile
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Synonyms:
Benzenebutanenitrile,α,α,γ-trimethyl-;Valeronitrile,2,2-dimethyl-4-phenyl-;α,α,γ-Trimethylbenzenebutanenitrile;2,2,4-Trimethyl-4-phenylbutanenitrile;2,2-Dimethyl-4-phenyl-valeronitrile
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CAS No:
Safety Information
22-51/53
61
Xn,N
P264, P270, P273, P301+P312, P330, P391, P501
H302
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 226 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 25 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
α,α,γ-Trimethylbenzenebutanenitrile Use and Manufacturing
Benzenebutanenitrile, .alpha.,.alpha.,.gamma.-trimethyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:187.28
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:187.136099547
Monoisotopic Mass:187.136099547
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:215
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
α,α,γ-Trimethylbenzenebutanenitrile
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