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78113-96-9 | 1,2,4,5-Tetrazin-3-amine, 6-(1,1-dimethylethyl)-N-ethyl-
CAS No: 78113-96-9 Catalog No: AG005DMB MDL No:
Product Description
Catalog Number:
AG005DMB
Chemical Name:
1,2,4,5-Tetrazin-3-amine, 6-(1,1-dimethylethyl)-N-ethyl-
CAS Number:
78113-96-9
Molecular Formula:
C8H15N5
Molecular Weight:
181.2382
IUPAC Name:
6-tert-butyl-N-ethyl-1,2,4,5-tetrazin-3-amine
InChI:
InChI=1S/C8H15N5/c1-5-9-7-12-10-6(11-13-7)8(2,3)4/h5H2,1-4H3,(H,9,12,13)
InChI Key:
QBMMCCLQEJXAMI-UHFFFAOYSA-N
SMILES:
CCNc1nnc(nn1)C(C)(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.133g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.243g/mol
Monoisotopic Mass:
181.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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