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100273-54-9 | 1,3,5-Triazine, hexahydro-1,3,5-tris(2-methylene-1-oxopentyl)- (9CI)
CAS No: 100273-54-9 Catalog No: AG0001FL MDL No:
Product Description
Catalog Number:
AG0001FL
Chemical Name:
1,3,5-Triazine, hexahydro-1,3,5-tris(2-methylene-1-oxopentyl)- (9CI)
CAS Number:
100273-54-9
Molecular Formula:
C21H33N3O3
Molecular Weight:
375.5050
IUPAC Name:
1-[3,5-bis(2-methylidenepentanoyl)-1,3,5-triazinan-1-yl]-2-methylidenepentan-1-one
InChI:
InChI=1S/C21H33N3O3/c1-7-10-16(4)19(25)22-13-23(20(26)17(5)11-8-2)15-24(14-22)21(27)18(6)12-9-3/h4-15H2,1-3H3
InChI Key:
UFMXCGVYTAGGQA-UHFFFAOYSA-N
SMILES:
CCCC(=C)C(=O)N1CN(CN(C1)C(=O)C(=C)CCC)C(=O)C(=C)CCC
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.252g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.513g/mol
Monoisotopic Mass:
375.252g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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