4-Pentenenitrile - CAS 592-51-8
Catalog: |
BB030312 |
Product Name: |
4-Pentenenitrile |
CAS: |
592-51-8 |
Synonyms: |
pent-4-enenitrile |
IUPAC Name: | pent-4-enenitrile |
Description: | 4-Pentenenitrile (CAS# 592-51-8) is a useful research chemical compound. |
Molecular Weight: | 81.12 |
Molecular Formula: | C5H7N |
Canonical SMILES: | C=CCCC#N |
InChI: | InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2 |
InChI Key: | CFEYBLWMNFZOPB-UHFFFAOYSA-N |
Boiling Point: | 140.9 °C at 760 mmHg |
Density: | 0.814 g/cm3 |
Appearance: | Liquid |
LogP: | 1.47618 |
Vapor Pressure: | 6.36 [mmHg] |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113416152-A | Method for preparing adiponitrile by reacting linear C5 monoalkene nitrile with hydrogen cyanide | 20210802 |
CN-113264847-A | Preparation method of adiponitrile | 20210423 |
CN-112574335-A | Modified hydroxyl-terminated polybutadiene and preparation method and application thereof | 20201209 |
CN-112574335-B | Modified hydroxyl-terminated polybutadiene and preparation method and application thereof | 20201209 |
CN-111471280-A | Microwave irradiation and magnetic heat induction curing resin and preparation method thereof | 20200513 |
PMID | Publication Date | Title | Journal |
17902667 | 20071024 | Highly selective hydrocyanation of butadiene toward 3-pentenenitrile | Journal of the American Chemical Society |
15826044 | 20050420 | Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria | Journal of agricultural and food chemistry |
12696912 | 20030423 | Competition and selectivity in the reaction of nitriles on ge(100)-2x1 | Journal of the American Chemical Society |
Complexity: | 75.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 81.057849228 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 81.057849228 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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