769-68-6
Product Name:
2-PHENYLBUTYRONITRILE
Formula:
C10H11N
Synonyms:
α-Ethylphenylacetonitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1304 |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
Molecular Weight | 145.20 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 145.089149355 g/mol |
Monoisotopic Mass | 145.089149355 g/mol |
Topological Polar Surface Area | 23.8 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 148 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |