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Home Aminos 4-N-Phthaloylglyaminomethyl aniline

4-N-Phthaloylglyaminomethyl aniline

CAS No.:
100880-61-3
Catalog Number:
AG00033D
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$167
- +
5g
98%
1 week
United States
$556
- +
25g
98%
1 week
United States
$1852
- +
Product Description
Catalog Number:
AG00033D
Chemical Name:
4-N-Phthaloylglyaminomethyl aniline
CAS Number:
100880-61-3
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD00432223
IUPAC Name:
2-[(4-aminophenyl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H12N2O2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9,16H2
InChI Key:
FPSRUFWSIDRGBT-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc(cc2)N)C(=O)c2c1cccc2
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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