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158747-11-6 | 1,5-Dioxaspiro[5.5]undecan-9-amine, N,3,3-trimethyl-
CAS No: 158747-11-6 Catalog No: AG001QTC MDL No:
Product Description
Catalog Number:
AG001QTC
Chemical Name:
1,5-Dioxaspiro[5.5]undecan-9-amine, N,3,3-trimethyl-
CAS Number:
158747-11-6
Molecular Formula:
C12H23NO2
Molecular Weight:
213.3165
IUPAC Name:
N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine
InChI:
InChI=1S/C12H23NO2/c1-11(2)8-14-12(15-9-11)6-4-10(13-3)5-7-12/h10,13H,4-9H2,1-3H3
InChI Key:
AGIWCGXGVSTDQF-UHFFFAOYSA-N
SMILES:
CNC1CCC2(CC1)OCC(CO2)(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.321g/mol
Monoisotopic Mass:
213.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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