Home Aminos 2-{[2-(aminomethyl)-1,3-thiazol-4-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione hydrobromide

2-{[2-(aminomethyl)-1,3-thiazol-4-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione hydrobromide

CAS No.:
2137629-31-1
Catalog Number:
AG01EJLV
Molecular Formula:
C13H12BrN3O2S
Molecular Weight:
354.2223
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Product Description
Catalog Number:
AG01EJLV
Chemical Name:
2-{[2-(aminomethyl)-1,3-thiazol-4-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione hydrobromide
CAS Number:
2137629-31-1
Molecular Formula:
C13H12BrN3O2S
Molecular Weight:
354.2223
MDL Number:
MFCD31558753
IUPAC Name:
2-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione;hydrobromide
InChI:
InChI=1S/C13H11N3O2S.BrH/c14-5-11-15-8(7-19-11)6-16-12(17)9-3-1-2-4-10(9)13(16)18;/h1-4,7H,5-6,14H2;1H
InChI Key:
SNWAPPLDTWGECY-UHFFFAOYSA-N
SMILES:
NCc1scc(n1)CN1C(=O)c2c(C1=O)cccc2.Br
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.983g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
354.222g/mol
Monoisotopic Mass:
352.983g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties