3-Methyl-5-phenylpentanenitrile
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3-Methyl-5-phenylpentanenitrile
structure -
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CAS No:
54089-83-7
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Formula:
C12H15N
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Chemical Name:
3-Methyl-5-phenylpentanenitrile
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Synonyms:
Benzenepentanenitrile,β-methyl-;β-Methylbenzenepentanenitrile;3-Methyl-5-phenylpentanenitrile;3-Methyl-5-phenylpentanonitrile;Hydrocitronitrile
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CAS No:
3-Methyl-5-phenylpentanenitrile Basic Attributes
173.25400
173.25
258-969-2
DTXSID8052190
2926909090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1547 companies from 2 notifications to the ECHA C&L Inventory.
3-Methyl-5-phenylpentanenitrile Use and Manufacturing
Benzenepentanenitrile, .beta.-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:173.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:173.120449483
Monoisotopic Mass:173.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:171
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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