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Home > Imidazoles > 2060051-36-5
2060051-36-5 | tert-butyl N-[8-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CAS No: 2060051-36-5 Catalog No: AG01BX0K MDL No:MFCD30477578
Product Description
Catalog Number:
AG01BX0K
Chemical Name:
tert-butyl N-[8-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CAS Number:
2060051-36-5
Molecular Formula:
C16H25N3O4
Molecular Weight:
323.3874
MDL Number:
MFCD30477578
IUPAC Name:
tert-butyl N-[8-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
InChI:
InChI=1S/C16H25N3O4/c1-14(2,3)23-13(20)19-15(12-17-8-9-18-12)4-6-16(7-5-15)21-10-11-22-16/h8-9H,4-7,10-11H2,1-3H3,(H,17,18)(H,19,20)
InChI Key:
IKLDKMOWWGAITQ-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCC2(CC1)OCCO2)c1ncc[nH]1)OC(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.185g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.393g/mol
Monoisotopic Mass:
323.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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