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21072-12-8 | 1-Butanol, 3-methyl-2-(1H-purin-6-ylamino)-, (R)- (9CI)
CAS No: 21072-12-8 Catalog No: AG002KYD MDL No:
Product Description
Catalog Number:
AG002KYD
Chemical Name:
1-Butanol, 3-methyl-2-(1H-purin-6-ylamino)-, (R)- (9CI)
CAS Number:
21072-12-8
Molecular Formula:
C10H15N5O
Molecular Weight:
221.2590
IUPAC Name:
(2R)-3-methyl-2-(7H-purin-6-ylamino)butan-1-ol
InChI:
InChI=1S/C10H15N5O/c1-6(2)7(3-16)15-10-8-9(12-4-11-8)13-5-14-10/h4-7,16H,3H2,1-2H3,(H2,11,12,13,14,15)/t7-/m0/s1
InChI Key:
DDKGVWQBRMVUAP-ZETCQYMHSA-N
SMILES:
OC[C@@H](C(C)C)Nc1[nH]cnc2c1ncn2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.128g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.264g/mol
Monoisotopic Mass:
221.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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