Home Aminos 7-allyl-2-amino-1H-purin-6(7H)-one

7-allyl-2-amino-1H-purin-6(7H)-one

CAS No.:
21869-84-1
Catalog Number:
AG01DIFL
Molecular Formula:
C8H9N5O
Molecular Weight:
191.1900
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Product Description
Catalog Number:
AG01DIFL
Chemical Name:
7-allyl-2-amino-1H-purin-6(7H)-one
CAS Number:
21869-84-1
Molecular Formula:
C8H9N5O
Molecular Weight:
191.1900
MDL Number:
MFCD04145877
IUPAC Name:
2-amino-7-prop-2-enyl-1H-purin-6-one
InChI:
InChI=1S/C8H9N5O/c1-2-3-13-4-10-6-5(13)7(14)12-8(9)11-6/h2,4H,1,3H2,(H3,9,11,12,14)
InChI Key:
JLXNWMULWUSNNZ-UHFFFAOYSA-N
SMILES:
C=CCn1cnc2c1c(=O)[nH]c(n2)N
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.081g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.194g/mol
Monoisotopic Mass:
191.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties