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14742-97-3 | 1-Butanol, 2-methyl-4-(1H-purin-6-ylamino)-, (S)- (9CI)
CAS No: 14742-97-3 Catalog No: AG001EWR MDL No:
Product Description
Catalog Number:
AG001EWR
Chemical Name:
1-Butanol, 2-methyl-4-(1H-purin-6-ylamino)-, (S)- (9CI)
CAS Number:
14742-97-3
Molecular Formula:
C10H15N5O
Molecular Weight:
221.2590
IUPAC Name:
(2S)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol
InChI:
InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1
InChI Key:
XXFACTAYGKKOQB-ZETCQYMHSA-N
SMILES:
OC[C@H](CCNc1[nH]cnc2c1ncn2)C
Properties
Complexity:
215
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:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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