4-Pentenenitrile


Chemical Name: 4-Pentenenitrile
CAS Number: 592-51-8
Product Number: AG003LYA(AGN-PC-0JKA44)
Synonyms:
MDL No:
Molecular Formula: C5H7N
Molecular Weight: 81.1158

Identification/Properties


Properties
BP:
140°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
81.118g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
81.058g/mol
Monoisotopic Mass:
81.058g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
75.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3275
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1,3
Packing Group:

NMR Spectrum


Other Analytical Data


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