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101577-97-3 | Guanidine, N,N-diethyl-N',N''-diphenyl-
CAS No: 101577-97-3 Catalog No: AG0004UR MDL No:
Product Description
Catalog Number:
AG0004UR
Chemical Name:
Guanidine, N,N-diethyl-N',N''-diphenyl-
CAS Number:
101577-97-3
Molecular Formula:
C17H21N3
Molecular Weight:
267.3687
IUPAC Name:
1,1-diethyl-2,3-diphenylguanidine
InChI:
InChI=1S/C17H21N3/c1-3-20(4-2)17(18-15-11-7-5-8-12-15)19-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,18,19)
InChI Key:
QLZQQUJBXZSKDI-UHFFFAOYSA-N
SMILES:
CCN(C(=Nc1ccccc1)Nc1ccccc1)CC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.376g/mol
Monoisotopic Mass:
267.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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