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19064-07-4 | s-Triazine, 2,2',2''-(phosphinidynetriethylene)tris[4,6-diamino- (8CI)
CAS No: 19064-07-4 Catalog No: AG002EP6 MDL No:
Product Description
Catalog Number:
AG002EP6
Chemical Name:
s-Triazine, 2,2',2''-(phosphinidynetriethylene)tris[4,6-diamino- (8CI)
CAS Number:
19064-07-4
Molecular Formula:
C15H24N15P
Molecular Weight:
445.4253
IUPAC Name:
6-[2-[bis[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phosphanyl]ethyl]-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C15H24N15P/c16-10-22-7(23-11(17)28-10)1-4-31(5-2-8-24-12(18)29-13(19)25-8)6-3-9-26-14(20)30-15(21)27-9/h1-6H2,(H4,16,17,22,23,28)(H4,18,19,24,25,29)(H4,20,21,26,27,30)
InChI Key:
USSAKKSOEROIGR-UHFFFAOYSA-N
SMILES:
Nc1nc(CCP(CCc2nc(N)nc(n2)N)CCc2nc(N)nc(n2)N)nc(n1)N
NSC Number:
145937
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.208g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
445.436g/mol
Monoisotopic Mass:
445.208g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
272A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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