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1443980-66-2 | 1-({8-methyl-1,4-dioxaspiro[4.5]decan-2-yl}methyl)guanidine hydroiodide
CAS No: 1443980-66-2 Catalog No: AG01A5GD MDL No:MFCD24842899
Product Description
Catalog Number:
AG01A5GD
Chemical Name:
1-({8-methyl-1,4-dioxaspiro[4.5]decan-2-yl}methyl)guanidine hydroiodide
CAS Number:
1443980-66-2
Molecular Formula:
C11H22IN3O2
Molecular Weight:
355.2157
MDL Number:
MFCD24842899
IUPAC Name:
2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine;hydroiodide
InChI:
InChI=1S/C11H21N3O2.HI/c1-8-2-4-11(5-3-8)15-7-9(16-11)6-14-10(12)13;/h8-9H,2-7H2,1H3,(H4,12,13,14);1H
InChI Key:
XSXWTWDSAHQXER-UHFFFAOYSA-N
SMILES:
CC1CCC2(CC1)OCC(O2)CNC(=N)N.I
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
355.22g/mol
Monoisotopic Mass:
355.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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