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87981-13-3 | Benzenamine, 4-(diethylphosphinyl)-N-ethyl-
CAS No: 87981-13-3 Catalog No: AG004ID2 MDL No:
Product Description
Catalog Number:
AG004ID2
Chemical Name:
Benzenamine, 4-(diethylphosphinyl)-N-ethyl-
CAS Number:
87981-13-3
Molecular Formula:
C12H20NOP
Molecular Weight:
225.2671
IUPAC Name:
4-diethylphosphoryl-N-ethylaniline
InChI:
InChI=1S/C12H20NOP/c1-4-13-11-7-9-12(10-8-11)15(14,5-2)6-3/h7-10,13H,4-6H2,1-3H3
InChI Key:
PVNVZLXAQHKQGI-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cc1)P(=O)(CC)CC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.128g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.272g/mol
Monoisotopic Mass:
225.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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