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40580-59-4

40580-59-4 | N-(1,4-Dioxaspiro[4.5]dec-2-ylmethyl)guanidine

CAS No: 40580-59-4 Catalog No: AG0039IC MDL No:

Product Description

Catalog Number:
AG0039IC
Chemical Name:
N-(1,4-Dioxaspiro[4.5]dec-2-ylmethyl)guanidine
CAS Number:
40580-59-4
Molecular Formula:
C10H19N3O2
Molecular Weight:
213.2768
IUPAC Name:
2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine
InChI:
InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)
InChI Key:
HPBNRIOWIXYZFK-UHFFFAOYSA-N
SMILES:
NC(=N)NCC1COC2(O1)CCCCC2

Properties

Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.148g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.281g/mol
Monoisotopic Mass:
213.148g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Literature

Title Journal
Drug use in elderly patients: Are we there yet? Journal of pharmacology & pharmacotherapeutics 20110101
Development of a list of potentially inappropriate drugs for the korean elderly using the delphi method. Healthcare informatics research 20101201
N-hydroxyl derivatives of guanidine based drugs as enzymatic NO donors. Bioorganic & medicinal chemistry letters 20010903
Comparison of guanadrel and guanethidine efficacy and side effects. Clinical therapeutics 19830101

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