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29767-70-2 | 9H-Purin-6-amine, 9-(1-ethoxyethyl)-
CAS No: 29767-70-2 Catalog No: AG002ZBB MDL No:
Product Description
Catalog Number:
AG002ZBB
Chemical Name:
9H-Purin-6-amine, 9-(1-ethoxyethyl)-
CAS Number:
29767-70-2
Molecular Formula:
C9H13N5O
Molecular Weight:
207.2324
IUPAC Name:
9-(1-ethoxyethyl)purin-6-amine
InChI:
InChI=1S/C9H13N5O/c1-3-15-6(2)14-5-13-7-8(10)11-4-12-9(7)14/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChI Key:
VZHRYWGWDKVNPE-UHFFFAOYSA-N
SMILES:
CCOC(n1cnc2c1ncnc2N)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.237g/mol
Monoisotopic Mass:
207.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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