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NSC19005

CAS No.:
5452-87-9
Catalog Number:
AG00DF77
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DF77
Chemical Name:
NSC19005
CAS Number:
5452-87-9
MDL Number:
MFCD28157290
IUPAC Name:
N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
InChI:
InChI=1S/C15H19N3/c1-18(12-8-14-6-2-4-10-16-14)13-9-15-7-3-5-11-17-15/h2-7,10-11H,8-9,12-13H2,1H3
InChI Key:
PQHKIDBZBKQYMR-UHFFFAOYSA-N
NSC Number:
19005
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.158g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.338g/mol
Monoisotopic Mass:
241.158g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Validation of density functional modeling protocols on experimental bis(mu-oxo)/mu-eta2:eta2-peroxo dicopper equilibria. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20071101
Tuning copper-dioxygen reactivity and exogenous substrate oxidations via alterations in ligand electronics. Journal of the American Chemical Society 20030122
Properties