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115103-53-2 | Guanidine, N-cyano-N'-[4-(3-methoxy-2-pyridinyl)butyl]-N''-methyl-
CAS No: 115103-53-2 Catalog No: AG000GAZ MDL No:
Product Description
Catalog Number:
AG000GAZ
Chemical Name:
Guanidine, N-cyano-N'-[4-(3-methoxy-2-pyridinyl)butyl]-N''-methyl-
CAS Number:
115103-53-2
Molecular Formula:
C13H19N5O
Molecular Weight:
261.3229
IUPAC Name:
1-cyano-3-[4-(3-methoxypyridin-2-yl)butyl]-2-methylguanidine
InChI:
InChI=1S/C13H19N5O/c1-15-13(18-10-14)17-8-4-3-6-11-12(19-2)7-5-9-16-11/h5,7,9H,3-4,6,8H2,1-2H3,(H2,15,17,18)
InChI Key:
JFQAGNPRVSKXEX-UHFFFAOYSA-N
SMILES:
N#CNC(=NC)NCCCCc1ncccc1OC
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.329g/mol
Monoisotopic Mass:
261.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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