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100139-54-6 | Benzoic acid, 4-(diethylamino)-, hydrazide
CAS No: 100139-54-6 Catalog No: AG00012Y MDL No:MFCD01310809
Product Description
Catalog Number:
AG00012Y
Chemical Name:
Benzoic acid, 4-(diethylamino)-, hydrazide
CAS Number:
100139-54-6
Molecular Formula:
C11H17N3O
Molecular Weight:
207.2722
MDL Number:
MFCD01310809
IUPAC Name:
4-(diethylamino)benzohydrazide
InChI:
InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChI Key:
PUNSOBLTEWFAMJ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C(=O)NN)CC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.277g/mol
Monoisotopic Mass:
207.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. | Journal of medicinal chemistry 20111124 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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