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88967-27-5 | 1,2,4-Triazine, 4-(1,1-dimethylethyl)hexahydro-1-methyl-
CAS No: 88967-27-5 Catalog No: AG0045WI MDL No:
Product Description
Catalog Number:
AG0045WI
Chemical Name:
1,2,4-Triazine, 4-(1,1-dimethylethyl)hexahydro-1-methyl-
CAS Number:
88967-27-5
Molecular Formula:
C8H19N3
Molecular Weight:
157.2566
IUPAC Name:
4-tert-butyl-1-methyl-1,2,4-triazinane
InChI:
InChI=1S/C8H19N3/c1-8(2,3)11-6-5-10(4)9-7-11/h9H,5-7H2,1-4H3
InChI Key:
OOKUUVUHUMSEEC-UHFFFAOYSA-N
SMILES:
CN1CCN(CN1)C(C)(C)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.158g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.261g/mol
Monoisotopic Mass:
157.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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