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22780-52-5,MFCD00993413
Catalog No.:AA003IR0
22780-52-5 | 1H-Isoindol-3-amine
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IR0
Chemical Name:
1H-Isoindol-3-amine
CAS Number:
22780-52-5
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00993413
IUPAC Name:
3H-isoindol-1-amine
InChI:
InChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2,(H2,9,10)
InChI Key:
MTKKGHVQPVOXIL-UHFFFAOYSA-N
SMILES:
NC1=NCc2c1cccc2
Properties
Computed Properties
 
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Synonyms
 
3-Amino-1H-isoindole 
1H-isoindol-3-amine 
SCHEMBL162748 
AC1Q531U 
CHEMBL1617729 
CTK0J6106 
DTXSID20330210 
MTKKGHVQPVOXIL-UHFFFAOYSA-N 
ZINC127291 
2,3-dihydro-1H-isoindol-1-imine 
CS-B1325 
KS-00000A6X 
22780-52-5 
BBL029116 
MFCD00993413 
SBB003870 
STK530826 
STK965381 
AKOS005463653 
AKOS025243403 
MCULE-3942629452 
SDCCGMLS-0021350.P002 
SDCCGMLS-0021350.P003 
3-hydroisoindolylamine 
TRA0009399 
57500-44-4 
AS-32335 
ST036785 
SY027372 
EU-0067752 
V4519 
EN300-82489 
Z-3722 
MFCD00993413 (95+%) 
3-hydroisoindolylamine, chloride 
F0014-0829 
Z2379203156 
1-aminoisoindole hydrochloride 
C8H8N2 
1H-Isoindol-3-amine hydrochloride 
3-Amino-1H-isoindole hydrochloride 
CID427859 
NSC222321 
76644-74-1 
iminoisoindoline 
Isoindolin-1-imine 
1H-Isoindol-1-imine, 2,3-dihydro- 
3H-isoindol-1-amine 
AC1L8KEF 
Literature

Title: A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.

Journal: Journal of medicinal chemistry 20111124

Title: Synthesis of palladacycles employing iminoisoindolines as monoanionic bidentate ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20081121

Title: Bis[2-phenyl-1-(phenyl-iminio)isoindo-line] di-μ-chlorido-bis-[dichloridopalladate(II)] benzene disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20080701

Title: Inhibitive properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic iron corrosion.

Journal: Langmuir : the ACS journal of surfaces and colloids 20051220

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