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88723-19-7 | Ethanone, 1-[2-(nonylamino)-1H-imidazol-4-yl]-
CAS No: 88723-19-7 Catalog No: AG0045TF MDL No:
Product Description
Catalog Number:
AG0045TF
Chemical Name:
Ethanone, 1-[2-(nonylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-19-7
Molecular Formula:
C14H25N3O
Molecular Weight:
251.3678
IUPAC Name:
1-[2-(nonylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C14H25N3O/c1-3-4-5-6-7-8-9-10-15-14-16-11-13(17-14)12(2)18/h11H,3-10H2,1-2H3,(H2,15,16,17)
InChI Key:
OKGUOIBQKFMPSD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCNc1[nH]cc(n1)C(=O)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.2g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.374g/mol
Monoisotopic Mass:
251.2g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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