Home Other Building Blocks 6-(azetidin-1-yl)-9H-purine

6-(azetidin-1-yl)-9H-purine

CAS No.:
1379186-26-1
Catalog Number:
AG01BALL
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
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Product Description
Catalog Number:
AG01BALL
Chemical Name:
6-(azetidin-1-yl)-9H-purine
CAS Number:
1379186-26-1
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD20542932
IUPAC Name:
6-(azetidin-1-yl)-7H-purine
InChI:
InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12)
InChI Key:
ACPXQMYLXLKGKU-UHFFFAOYSA-N
SMILES:
C1CN(C1)c1ncnc2c1nc[nH]2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.086g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties