200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87698-95-1
87698-95-1 | Propanedinitrile, [[2-(1-pyrrolidinyl)phenyl]methylene]-
CAS No: 87698-95-1 Catalog No: AG004GLC MDL No:
Product Description
Catalog Number:
AG004GLC
Chemical Name:
Propanedinitrile, [[2-(1-pyrrolidinyl)phenyl]methylene]-
CAS Number:
87698-95-1
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
IUPAC Name:
2-[(2-pyrrolidin-1-ylphenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C14H13N3/c15-10-12(11-16)9-13-5-1-2-6-14(13)17-7-3-4-8-17/h1-2,5-6,9H,3-4,7-8H2
InChI Key:
CIZLZSYWTYLBIC-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1N1CCCC1)C#N
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
© 2019 Angene International Limited. All rights Reserved.