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13717-84-5 | 1,2,4,5-Tetrazine, hexahydro-3,6-dipropyl-
CAS No: 13717-84-5 Catalog No: AG0012WN MDL No:
Product Description
Catalog Number:
AG0012WN
Chemical Name:
1,2,4,5-Tetrazine, hexahydro-3,6-dipropyl-
CAS Number:
13717-84-5
Molecular Formula:
C8H20N4
Molecular Weight:
172.2712
IUPAC Name:
3,6-dipropyl-1,2,4,5-tetrazinane
InChI:
InChI=1S/C8H20N4/c1-3-5-7-9-11-8(6-4-2)12-10-7/h7-12H,3-6H2,1-2H3
InChI Key:
LQNIFRQTYHAURK-UHFFFAOYSA-N
SMILES:
CCCC1NNC(NN1)CCC
NSC Number:
126901
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.169g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
172.276g/mol
Monoisotopic Mass:
172.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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