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88967-34-4 | 1,2,4-Triazine, 4-ethylhexahydro-1,3,3-trimethyl-
CAS No: 88967-34-4 Catalog No: AG0045WH MDL No:
Product Description
Catalog Number:
AG0045WH
Chemical Name:
1,2,4-Triazine, 4-ethylhexahydro-1,3,3-trimethyl-
CAS Number:
88967-34-4
Molecular Formula:
C8H19N3
Molecular Weight:
157.2566
IUPAC Name:
4-ethyl-1,3,3-trimethyl-1,2,4-triazinane
InChI:
InChI=1S/C8H19N3/c1-5-11-7-6-10(4)9-8(11,2)3/h9H,5-7H2,1-4H3
InChI Key:
USXMTTNHJXULTE-UHFFFAOYSA-N
SMILES:
CCN1CCN(NC1(C)C)C
Properties
Complexity:
133
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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