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Home Amines 101622-53-1
101622-53-1,MFCD00467327
Catalog No.:AA0004WE
101622-53-1 | 9H-Purin-6-amine, 2-chloro-9-methyl-N-(phenylmethyl)-
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Technical Information
Catalog Number:
AA0004WE
Chemical Name:
9H-Purin-6-amine, 2-chloro-9-methyl-N-(phenylmethyl)-
CAS Number:
101622-53-1
Molecular Formula:
C13H12ClN5
Molecular Weight:
273.7209
MDL Number:
MFCD00467327
IUPAC Name:
N-benzyl-2-chloro-9-methylpurin-6-amine
InChI:
InChI=1S/C13H12ClN5/c1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18)
InChI Key:
QNKNBVBQFILDGJ-UHFFFAOYSA-N
SMILES:
Clc1nc(NCc2ccccc2)c2c(n1)n(C)cn2
Properties
Computed Properties
 
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.078g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.724g/mol
Monoisotopic Mass:
273.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
N-Benzyl-2-Chloro-9-Methyl-9H-Purin-6-Amine 
101622-53-1 
ZINC2565814 
BDBM50056174 
AKOS015839364 
FCH2722051 
NCGC00168488-01 
2-Chloro-9-methyl-6-(benzylamino)purine 
AJ-41177 
2-Chloro-6-benzylamino-9-methyl-9H-purine 
AX8162233 
TC-072233 
CHEMBL133042 
N-BENZYL-2-CHLORO-9-METHYLPURIN-6-AMINE 
Benzyl-(2-chloro-9-methyl-9H-purin-6-yl)-amine 
I14-12942 
9H-Purin-6-amine, 2-chloro-9-methyl-N-(phenylmethyl)- 
99025-94-2 
N-benzyl-2-chloro-9-methyl-9H-purin-6-amin 
2-CHLORO-6-BENZYLAMINO-9-METHYLPURINE 
AC1Q3Z2C 
SCHEMBL8010398 
CTK4A0022 
DTXSID20576959 
QNKNBVBQFILDGJ-UHFFFAOYSA-N 
Literature
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