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102771-26-6

102771-26-6 | Benzenamine, 4-(8-methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)-

CAS No: 102771-26-6 Catalog No: AG0008CN MDL No:

Product Description

Catalog Number:
AG0008CN
Chemical Name:
Benzenamine, 4-(8-methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)-
CAS Number:
102771-26-6
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline
InChI:
InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
InChI Key:
LFBZZHVSGAHQPP-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C
UNII:
471V8NZ5X3

Properties

Complexity:
482  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

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