200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 845866-73-1
845866-73-1 | 4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-BENZONITRILE
CAS No: 845866-73-1 Catalog No: AG004QZP MDL No:
Product Description
Catalog Number:
AG004QZP
Chemical Name:
4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-BENZONITRILE
CAS Number:
845866-73-1
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
IUPAC Name:
4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)benzonitrile
InChI:
InChI=1S/C13H15N3/c14-6-10-1-3-11(4-2-10)8-16-9-12-5-13(16)7-15-12/h1-4,12-13,15H,5,7-9H2
InChI Key:
KJGLNJLVGKZHLI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CC2CC1CN2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.284g/mol
Monoisotopic Mass:
213.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
© 2019 Angene International Limited. All rights Reserved.