Home Amines 1204297-79-9
1204297-79-9,MFCD16631814
Catalog No.:AA01AQAC
1204297-79-9 | N'-(4-Chloro-1,3-benzothiazol-2-yl)-N,N-dimethylpropane-1,3-diamine
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Technical Information
Catalog Number:
AA01AQAC
Chemical Name:
N'-(4-Chloro-1,3-benzothiazol-2-yl)-N,N-dimethylpropane-1,3-diamine
CAS Number:
1204297-79-9
Molecular Formula:
C12H16ClN3S
Molecular Weight:
269.7935
MDL Number:
MFCD16631814
IUPAC Name:
N-(4-chloro-1,3-benzothiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
InChI:
InChI=1S/C12H16ClN3S/c1-16(2)8-4-7-14-12-15-11-9(13)5-3-6-10(11)17-12/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChI Key:
LUTAXTNVFRUBOI-UHFFFAOYSA-N
SMILES:
CN(CCCNc1sc2c(n1)c(Cl)ccc2)C
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.791g/mol
Monoisotopic Mass:
269.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Synonyms
 
N'-(4-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylpropane-1,3-diamine 
1204297-79-9 
ZINC36657625 
AKOS015957458 
MCULE-9768351120 
L-4116 
F2158-0834 
{3-[(4-chloro-1,3-benzothiazol-2-yl)amino]propyl}dimethylamine 
Literature
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