Home Nitriles 2-Pyrrolidinecarbonitrile, 1-(phenylmethyl)-

2-Pyrrolidinecarbonitrile, 1-(phenylmethyl)-

CAS No.:
72219-09-1
Catalog Number:
AG005JFQ
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
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Product Description
Catalog Number:
AG005JFQ
Chemical Name:
2-Pyrrolidinecarbonitrile, 1-(phenylmethyl)-
CAS Number:
72219-09-1
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD04115303
IUPAC Name:
1-benzylpyrrolidine-2-carbonitrile
InChI:
InChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2
InChI Key:
UWHFYOCFQGYYIH-UHFFFAOYSA-N
SMILES:
N#CC1CCCN1Cc1ccccc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties