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Home Other Building Blocks N-BENZYL-4-METHYLPHTHALAZIN-1-AMINE

N-BENZYL-4-METHYLPHTHALAZIN-1-AMINE

CAS No.:
364383-18-6
Catalog Number:
AG01DWDO
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
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Product Description
Catalog Number:
AG01DWDO
Chemical Name:
N-BENZYL-4-METHYLPHTHALAZIN-1-AMINE
CAS Number:
364383-18-6
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
MDL Number:
MFCD01327237
IUPAC Name:
N-benzyl-4-methylphthalazin-1-amine
InChI:
InChI=1S/C16H15N3/c1-12-14-9-5-6-10-15(14)16(19-18-12)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,19)
InChI Key:
NBQCNIZJXWAZTM-UHFFFAOYSA-N
SMILES:
Cc1nnc(c2c1cccc2)NCc1ccccc1
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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
Properties