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10019-98-4 | 1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-
CAS No: 10019-98-4 Catalog No: AG000171 MDL No:
Product Description
Catalog Number:
AG000171
Chemical Name:
1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-
CAS Number:
10019-98-4
Molecular Formula:
C7H15N3O
Molecular Weight:
157.2135
IUPAC Name:
5-butyl-1,3,5-triazinan-2-one
InChI:
InChI=1S/C7H15N3O/c1-2-3-4-10-5-8-7(11)9-6-10/h2-6H2,1H3,(H2,8,9,11)
InChI Key:
GQIJJTVWCKJHFZ-UHFFFAOYSA-N
SMILES:
CCCCN1CNC(=O)NC1
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.122g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.217g/mol
Monoisotopic Mass:
157.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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