1-Pyrrolidinecarbonitrile


Chemical Name: 1-Pyrrolidinecarbonitrile
CAS Number: 1530-88-7
Product Number: AG007J8I(AGN-PC-0JLB5P)
Synonyms:
MDL No:
Molecular Formula: C5H8N2
Molecular Weight: 96.1304

Identification/Properties


Computed Properties
Molecular Weight:
96.133g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
96.069g/mol
Monoisotopic Mass:
96.069g/mol
Topological Polar Surface Area:
27A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
93.9
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#:
3276
Hazard Statements:
H301+H311+H331-H315-H319
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P332+P313-P362-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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