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1204297-89-1,MFCD16631827
Catalog No.:AA01AQCJ
1204297-89-1 | N,N-Diethyl-N'-(6-fluoro-1,3-benzothiazol-2-yl)ethane-1,2-diamine
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Technical Information
Catalog Number:
AA01AQCJ
Chemical Name:
N,N-Diethyl-N'-(6-fluoro-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CAS Number:
1204297-89-1
Molecular Formula:
C13H18FN3S
Molecular Weight:
267.3655
MDL Number:
MFCD16631827
IUPAC Name:
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)ethane-1,2-diamine
InChI:
InChI=1S/C13H18FN3S/c1-3-17(4-2)8-7-15-13-16-11-6-5-10(14)9-12(11)18-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChI Key:
VHNNKPONPSBTAB-UHFFFAOYSA-N
SMILES:
CCN(CCNc1nc2c(s1)cc(cc2)F)CC
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.366g/mol
Monoisotopic Mass:
267.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
N,N-diethyl-N'-(6-fluoro-1,3-benzothiazol-2-yl)ethane-1,2-diamine 
1204297-89-1 
ZINC36657649 
AKOS015957502 
MCULE-1636701353 
L-4118 
F2158-0848 
diethyl({2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl})amine 
Literature
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