2-Benzyl-2-methyl-3-butenenitrile
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2-Benzyl-2-methyl-3-butenenitrile
structure -
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CAS No:
97384-48-0
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Formula:
C12H13N
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Chemical Name:
2-Benzyl-2-methyl-3-butenenitrile
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Synonyms:
Benzenepropanenitrile,α-ethenyl-α-methyl-;α-Ethenyl-α-methylbenzenepropanenitrile;2-Methyl-2-(phenylmethyl)-3-butenenitrile;2-Benzyl-2-methyl-3-butenenitrile;Citrowanil B
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CAS No:
2-Benzyl-2-methyl-3-butenenitrile Basic Attributes
171.23832
171.24
407-870-4
DTXSID7052650
2926909090
Safety Information
22-52/53
61
Xn
P264, P270, P273, P301+P312, P330, P501
H302
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501|H302 (99.94%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 1561 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Benzyl-2-methyl-3-butenenitrile Use and Manufacturing
Benzenepropanenitrile, .alpha.-ethenyl-.alpha.-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:171.24
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:171.104799419
Monoisotopic Mass:171.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Benzyl-2-methyl-3-butenenitrile
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