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88967-22-0 | 1,2,4-Triazine, hexahydro-1,3-dimethyl-4-(1-methylethyl)-
CAS No: 88967-22-0 Catalog No: AG0046YQ MDL No:
Product Description
Catalog Number:
AG0046YQ
Chemical Name:
1,2,4-Triazine, hexahydro-1,3-dimethyl-4-(1-methylethyl)-
CAS Number:
88967-22-0
Molecular Formula:
C8H19N3
Molecular Weight:
157.2566
IUPAC Name:
1,3-dimethyl-4-propan-2-yl-1,2,4-triazinane
InChI:
InChI=1S/C8H19N3/c1-7(2)11-6-5-10(4)9-8(11)3/h7-9H,5-6H2,1-4H3
InChI Key:
QNTLMPJOQOEBJQ-UHFFFAOYSA-N
SMILES:
CN1CCN(C(N1)C)C(C)C
Properties
Complexity:
125
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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