Home Aminos 4-(6-amino-9H-purin-9-yl)butanoic acid

4-(6-amino-9H-purin-9-yl)butanoic acid

CAS No.:
33147-28-3
Catalog Number:
AG01BXJF
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
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Product Description
Catalog Number:
AG01BXJF
Chemical Name:
4-(6-amino-9H-purin-9-yl)butanoic acid
CAS Number:
33147-28-3
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
MDL Number:
MFCD04145013
IUPAC Name:
4-(6-aminopurin-9-yl)butanoic acid
InChI:
InChI=1S/C9H11N5O2/c10-8-7-9(12-4-11-8)14(5-13-7)3-1-2-6(15)16/h4-5H,1-3H2,(H,15,16)(H2,10,11,12)
InChI Key:
RODVBUCLVBTCEQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1cnc2c1ncnc2N
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.22g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties