Home Amines 568570-13-8
568570-13-8,MFCD03941319
Catalog No.:AA00EA36
568570-13-8 | 6-CHLOROMETHYL-N-O-TOLYL-[1,3,5]TRIAZINE-2,4-DIAMINE
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250mg
95.0%
1 week  
$80.00
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500mg
95.0%
1 week  
$120.00
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1g
95.0%
1 week  
$166.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00EA36
Chemical Name:
6-CHLOROMETHYL-N-O-TOLYL-[1,3,5]TRIAZINE-2,4-DIAMINE
CAS Number:
568570-13-8
Molecular Formula:
C11H12ClN5
Molecular Weight:
249.6995
MDL Number:
MFCD03941319
IUPAC Name:
6-(chloromethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C11H12ClN5/c1-7-4-2-3-5-8(7)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)
InChI Key:
XUKNUJFKXDHIKN-UHFFFAOYSA-N
SMILES:
ClCc1nc(nc(n1)N)Nc1ccccc1C
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:
249.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.702g/mol
Monoisotopic Mass:
249.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
568570-13-8 
6-Chloromethyl-N-o-tolyl-[1,3,5]triazine-2,4-diamine 
HMS2800M11 
KUC105477N 
ALBB-022046 
5790AE 
KSC-16-12 
MFCD03941319 
SBB041764 
STK136947 
ZINC18037935 
AKOS000270269 
6-(chloromethyl)-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine 
MCULE-6747734054 
SMR000435022 
R8099 
ST50106442 
EN300-06367 
SR-01000044398 
J-518622 
SR-01000044398-1 
1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(2-methylphenyl)- 
6-(chloromethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine 
6-(Chloromethyl)-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine 
6-(chloromethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine 
N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)amine 
C11H12ClN5 
CID933293 
ZINC00526105 
[4-amino-6-(chloromethyl)(1,3,5-triazin-2-yl)](2-methylphenyl)amine 
AC1LIL2Y 
AC1Q2G3U 
MLS000332270 
CHEMBL1373967 
CTK8F7111 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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