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Home Other Building Blocks 1,8-diazatricyclo[7.5.0.0,2,7]tetradeca-2,4,6,8-tetraen-5-amine

1,8-diazatricyclo[7.5.0.0,2,7]tetradeca-2,4,6,8-tetraen-5-amine

CAS No.:
379726-16-6
Catalog Number:
AG019H4L
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
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Product Description
Catalog Number:
AG019H4L
Chemical Name:
1,8-diazatricyclo[7.5.0.0,2,7]tetradeca-2,4,6,8-tetraen-5-amine
CAS Number:
379726-16-6
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD03152428
IUPAC Name:
7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-amine
InChI:
InChI=1S/C12H15N3/c13-9-5-6-11-10(8-9)14-12-4-2-1-3-7-15(11)12/h5-6,8H,1-4,7,13H2
InChI Key:
AYNMZNDKCQYSAU-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc1n2CCCCC1
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties