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Home > Other Heterocycles > 68214-48-2
68214-48-2 | 8,9,11-trimethyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS No: 68214-48-2 Catalog No: AG005YKX MDL No:
Product Description
Catalog Number:
AG005YKX
Chemical Name:
8,9,11-trimethyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS Number:
68214-48-2
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
acetic acid;N-[2-[(3-amino-3-oxopropyl)-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]octadecanamide
InChI:
InChI=1S/C31H62N6O4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(41)35-21-25-37(24-20-30(34)40)27-26-36(22-18-28(32)38)23-19-29(33)39;1-2(3)4/h2-27H2,1H3,(H2,32,38)(H2,33,39)(H2,34,40)(H,35,41);1H3,(H,3,4)
InChI Key:
VFFMBHXEAASUMC-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(C(=O)N1)CC(=C(CC2C)C)C
EC Number:
269-294-8
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.504g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
642.927g/mol
Monoisotopic Mass:
642.504g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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