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Home > Other Heterocycles > 1956426-50-8
1956426-50-8 | (E)-tert-Butyl (3-isopropyl-4-oxo-1,3,8-triazaspiro[4.5]decan-2-ylidene)carbamate oxalate
CAS No: 1956426-50-8 Catalog No: AG00I3JF MDL No:
Product Description
Catalog Number:
AG00I3JF
Chemical Name:
(E)-tert-Butyl (3-isopropyl-4-oxo-1,3,8-triazaspiro[4.5]decan-2-ylidene)carbamate oxalate
CAS Number:
1956426-50-8
IUPAC Name:
tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate;oxalic acid
InChI:
InChI=1S/C15H26N4O3.C2H2O4/c1-10(2)19-11(20)15(6-8-16-9-7-15)18-12(19)17-13(21)22-14(3,4)5;3-1(4)2(5)6/h10,16H,6-9H2,1-5H3,(H,17,18,21);(H,3,4)(H,5,6)
InChI Key:
PBAFEUOKZHHUNP-UHFFFAOYSA-N
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.196g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
400.432g/mol
Monoisotopic Mass:
400.196g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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