200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 115687-28-0
115687-28-0 | 3-Pyrrolidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-
CAS No: 115687-28-0 Catalog No: AG000GRA MDL No:
Product Description
Catalog Number:
AG000GRA
Chemical Name:
3-Pyrrolidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-
CAS Number:
115687-28-0
Molecular Formula:
C18H18N2
Molecular Weight:
262.3489
IUPAC Name:
1-benzyl-4-phenylpyrrolidine-3-carbonitrile
InChI:
InChI=1S/C18H18N2/c19-11-17-13-20(12-15-7-3-1-4-8-15)14-18(17)16-9-5-2-6-10-16/h1-10,17-18H,12-14H2
InChI Key:
LHKVKWYSDARUCV-UHFFFAOYSA-N
SMILES:
N#CC1CN(CC1c1ccccc1)Cc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.356g/mol
Monoisotopic Mass:
262.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.