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1461707-54-9

1461707-54-9 | 1-{1,4,8-trioxaspiro[4.5]decan-2-ylmethyl}guanidine hydroiodide

CAS No: 1461707-54-9 Catalog No: AG01A5NT MDL No:MFCD25371606

Product Description

Catalog Number:
AG01A5NT
Chemical Name:
1-{1,4,8-trioxaspiro[4.5]decan-2-ylmethyl}guanidine hydroiodide
CAS Number:
1461707-54-9
Molecular Formula:
C9H18IN3O3
Molecular Weight:
343.1620
MDL Number:
MFCD25371606
IUPAC Name:
2-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)guanidine;hydroiodide
InChI:
InChI=1S/C9H17N3O3.HI/c10-8(11)12-5-7-6-14-9(15-7)1-3-13-4-2-9;/h7H,1-6H2,(H4,10,11,12);1H
InChI Key:
DEVLURAIBYMMAK-UHFFFAOYSA-N
SMILES:
NC(=N)NCC1COC2(O1)CCOCC2.I

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.039g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
343.165g/mol
Monoisotopic Mass:
343.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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