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101-01-9 | Guanidine, N,N',N''-triphenyl-
CAS No: 101-01-9 Catalog No: AG0003F6 MDL No:MFCD00020648
Product Description
Catalog Number:
AG0003F6
Chemical Name:
Guanidine, N,N',N''-triphenyl-
CAS Number:
101-01-9
Molecular Formula:
C19H17N3
Molecular Weight:
287.3584
MDL Number:
MFCD00020648
IUPAC Name:
1,2,3-triphenylguanidine
InChI:
InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)
InChI Key:
FUPAJKKAHDLPAZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NC(=Nc1ccccc1)Nc1ccccc1
EC Number:
202-907-9
UNII:
I64B170QFG
NSC Number:
4051
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.366g/mol
Monoisotopic Mass:
287.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Chloro and azido diruthenium complexes bearing electron-rich N,N',N''-triphenylguanidinate ligands. | Inorganic chemistry 20091019 |
| N,N',N''-Triphenyl-guanidinium 5-nitro-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-ide. | Acta crystallographica. Section E, Structure reports online 20080601 |
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