Home Aminos 2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-

2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-

CAS No.:
13114-27-7
Catalog Number:
AG000VMG
Molecular Formula:
C10H13N5O
Molecular Weight:
219.2431
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Product Description
Catalog Number:
AG000VMG
Chemical Name:
2-Buten-1-ol, 2-methyl-4-(9H-purin-6-ylamino)-
CAS Number:
13114-27-7
Molecular Formula:
C10H13N5O
Molecular Weight:
219.2431
MDL Number:
MFCD00036831
IUPAC Name:
2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
InChI:
InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)
InChI Key:
UZKQTCBAMSWPJD-UHFFFAOYSA-N
SMILES:
CC(=CCNc1ncnc2c1nc[nH]2)CO
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.248g/mol
Monoisotopic Mass:
219.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.7  
Literature
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