Home Nitriles 1-Benzylpyrrolidine-3-carbonitrile oxalate

1-Benzylpyrrolidine-3-carbonitrile oxalate

CAS No.:
1188265-21-5
Catalog Number:
AG008U2E
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
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Product Description
Catalog Number:
AG008U2E
Chemical Name:
1-Benzylpyrrolidine-3-carbonitrile oxalate
CAS Number:
1188265-21-5
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD11501670
IUPAC Name:
1-benzylpyrrolidine-3-carbonitrile;oxalic acid
InChI:
InChI=1S/C12H14N2.C2H2O4/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,12H,6-7,9-10H2;(H,3,4)(H,5,6)
InChI Key:
NLBJMBNDZZMLDI-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.N#CC1CCN(C1)Cc1ccccc1
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties