3-Pyrrolidinecarbonitrile


Chemical Name: 3-Pyrrolidinecarbonitrile
CAS Number: 10603-53-9
Product Number: AG0084HH(AGN-PC-03LL0P)
Synonyms:
MDL No:
Molecular Formula: C5H8N2
Molecular Weight: 96.1304

Identification/Properties


Computed Properties
Molecular Weight:
96.133g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
96.069g/mol
Monoisotopic Mass:
96.069g/mol
Topological Polar Surface Area:
35.8A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
99.9
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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