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827340-60-3 | 1H-1,4,7-Triazonine, octahydro-, phosphate (1:3)
CAS No: 827340-60-3 Catalog No: AG004UV0 MDL No:
Product Description
Catalog Number:
AG004UV0
Chemical Name:
1H-1,4,7-Triazonine, octahydro-, phosphate (1:3)
CAS Number:
827340-60-3
Molecular Formula:
C6H24N3O12P3
Molecular Weight:
423.1889
IUPAC Name:
phosphoric acid;1,4,7-triazonane
InChI:
InChI=1S/C6H15N3.3H3O4P/c1-2-8-5-6-9-4-3-7-1;3*1-5(2,3)4/h7-9H,1-6H2;3*(H3,1,2,3,4)
InChI Key:
CFTQWPIYOAZZQK-UHFFFAOYSA-N
SMILES:
N1CCNCCNCC1.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
Properties
Complexity:
94.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
12
Isotope Atom Count:
0
Molecular Weight:
423.188g/mol
Monoisotopic Mass:
423.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
269A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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