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133331-05-2 | Ethanol, 2-[methyl[2-(9H-purin-6-ylamino)ethyl]amino]-
CAS No: 133331-05-2 Catalog No: AG0014NN MDL No:
Product Description
Catalog Number:
AG0014NN
Chemical Name:
Ethanol, 2-[methyl[2-(9H-purin-6-ylamino)ethyl]amino]-
CAS Number:
133331-05-2
Molecular Formula:
C10H16N6O
Molecular Weight:
236.2736
IUPAC Name:
2-[methyl-[2-(7H-purin-6-ylamino)ethyl]amino]ethanol
InChI:
InChI=1S/C10H16N6O/c1-16(4-5-17)3-2-11-9-8-10(13-6-12-8)15-7-14-9/h6-7,17H,2-5H2,1H3,(H2,11,12,13,14,15)
InChI Key:
MGGIQSVGZRCHTE-UHFFFAOYSA-N
SMILES:
CN(CCO)CCNc1ncnc2c1nc[nH]2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.279g/mol
Monoisotopic Mass:
236.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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