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13318-19-9 | 1,3,5-Triazine, hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]- (9CI)
CAS No: 13318-19-9 Catalog No: AG0014DO MDL No:
Product Description
Catalog Number:
AG0014DO
Chemical Name:
1,3,5-Triazine, hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]- (9CI)
CAS Number:
13318-19-9
Molecular Formula:
C21H33N3O9
Molecular Weight:
471.5014
IUPAC Name:
1-[3,5-bis[3-(oxiran-2-ylmethoxy)propanoyl]-1,3,5-triazinan-1-yl]-3-(oxiran-2-ylmethoxy)propan-1-one
InChI:
InChI=1S/C21H33N3O9/c25-19(1-4-28-7-16-10-31-16)22-13-23(20(26)2-5-29-8-17-11-32-17)15-24(14-22)21(27)3-6-30-9-18-12-33-18/h16-18H,1-15H2
InChI Key:
HIILPLVHMVHXHX-UHFFFAOYSA-N
SMILES:
O=C(N1CN(CN(C1)C(=O)CCOCC1OC1)C(=O)CCOCC1OC1)CCOCC1OC1
EC Number:
236-351-3
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.222g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
471.507g/mol
Monoisotopic Mass:
471.222g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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