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141191-83-5 | 2,4-Pyrimidinediamine, 6-butoxy-5-nitroso-
CAS No: 141191-83-5 Catalog No: AG001G18 MDL No:
Product Description
Catalog Number:
AG001G18
Chemical Name:
2,4-Pyrimidinediamine, 6-butoxy-5-nitroso-
CAS Number:
141191-83-5
Molecular Formula:
C8H13N5O2
Molecular Weight:
211.2211
IUPAC Name:
6-butoxy-5-nitrosopyrimidine-2,4-diamine
InChI:
InChI=1S/C8H13N5O2/c1-2-3-4-15-7-5(13-14)6(9)11-8(10)12-7/h2-4H2,1H3,(H4,9,10,11,12)
InChI Key:
RFNIEAYTLNRCSL-UHFFFAOYSA-N
SMILES:
CCCCOc1nc(N)nc(c1N=O)N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.107g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.225g/mol
Monoisotopic Mass:
211.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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