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88750-78-1 | 2-Pyrimidinamine, N-(1-methylethyl)-, monomethanesulfonate
CAS No: 88750-78-1 Catalog No: AG004COB MDL No:
Product Description
Catalog Number:
AG004COB
Chemical Name:
2-Pyrimidinamine, N-(1-methylethyl)-, monomethanesulfonate
CAS Number:
88750-78-1
Molecular Formula:
C8H15N3O3S
Molecular Weight:
233.2880
IUPAC Name:
methanesulfonic acid;N-propan-2-ylpyrimidin-2-amine
InChI:
InChI=1S/C7H11N3.CH4O3S/c1-6(2)10-7-8-4-3-5-9-7;1-5(2,3)4/h3-6H,1-2H3,(H,8,9,10);1H3,(H,2,3,4)
InChI Key:
YQUSFKRTQKQFIA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CC(Nc1ncccn1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.286g/mol
Monoisotopic Mass:
233.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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