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100376-77-0 | Ethanol, 2-[(2-chloro-7-methyl-7H-purin-6-yl)amino]-
CAS No: 100376-77-0 Catalog No: AG0001TI MDL No:
Product Description
Catalog Number:
AG0001TI
Chemical Name:
Ethanol, 2-[(2-chloro-7-methyl-7H-purin-6-yl)amino]-
CAS Number:
100376-77-0
Molecular Formula:
C8H10ClN5O
Molecular Weight:
227.6509
IUPAC Name:
2-[(2-chloro-7-methylpurin-6-yl)amino]ethanol
InChI:
InChI=1S/C8H10ClN5O/c1-14-4-11-7-5(14)6(10-2-3-15)12-8(9)13-7/h4,15H,2-3H2,1H3,(H,10,12,13)
InChI Key:
YRFQHPUYMMJFCF-UHFFFAOYSA-N
SMILES:
OCCNc1nc(Cl)nc2c1n(C)cn2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.652g/mol
Monoisotopic Mass:
227.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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