Home Amines 854085-17-9
854085-17-9,MFCD16631828
Catalog No.:AA01AQCK
854085-17-9 | N,N-Diethyl-N'-(5-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
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Technical Information
Catalog Number:
AA01AQCK
Chemical Name:
N,N-Diethyl-N'-(5-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CAS Number:
854085-17-9
Molecular Formula:
C14H21N3OS
Molecular Weight:
279.4010
MDL Number:
MFCD16631828
IUPAC Name:
N',N'-diethyl-N-(5-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
InChI:
InChI=1S/C14H21N3OS/c1-4-17(5-2)9-8-15-14-16-12-10-11(18-3)6-7-13(12)19-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChI Key:
YAWIVICBQFRIDG-UHFFFAOYSA-N
SMILES:
CCN(CCNc1nc2c(s1)ccc(c2)OC)CC
Properties
Computed Properties
 
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.141g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.402g/mol
Monoisotopic Mass:
279.141g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
N,N-diethyl-N'-(5-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine 
854085-17-9 
ZINC36657651 
AKOS015957503 
MCULE-8208418908 
L-4119 
F2158-0849 
diethyl({2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]ethyl})amine 
Literature
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