Home Amines 100880-61-3
100880-61-3,MFCD00432223
Catalog No.:AA00030L
100880-61-3 | 4-N-Phthaloylglyaminomethyl aniline
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1g
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$205.00   $144.00
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5g
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$650.00   $455.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00030L
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
Computed 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  

Synonyms
 
100880-61-3 
4-N-Phthaloylglyaminomethyl aniline 
Oprea1_430558 
Oprea1_837638 
CBDivE_008147 
SCHEMBL1833825 
CHEMBL2237482 
CTK3J9329 
DTXSID80353586 
HMS1676J02 
ZINC188417 
MFCD00432223 
2-(4-aminobenzyl)isoindoline-1,3-dione 
AKOS000161146 
AC-6639 
AN-9811 
MCULE-3778252658 
2-(4-aminobenzyl)isoindole-1,3-dione 
AS-37446 
AB0075839 
DB-058521 
RT-009808 
2-(4-Aminobenzyl)-2H-isoindole-1,3-dione 
2-[(4-aminophenyl)methyl]isoindole-1,3-dione 
FT-0754940 
X-2211 
2-[(4-aminophenyl)methyl]isoindoline-1,3-dione 
1H-Isoindole-1,3(2H)-dione, 2-[(4-aminophenyl)methyl]- 
CID745761 
A16237 
1H-Isoindole-1,3(2H)-dione,2-[(4-aminophenyl)methyl]- 
4-N-Phthaloylglyaminomethylaniline 
ACMC-20emuh 
BAS 00147945 
2-(4-Amino-benzyl)-isoindole-1,3-dione 
AC1LF2FO 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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