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1649454-82-9 | 2-Pyrimidinemethanamine, 5-(ethylsulfonyl)-, hydrochloride (1:1)
CAS No: 1649454-82-9 Catalog No: AG001V6F MDL No:MFCD30179618
Product Description
Catalog Number:
AG001V6F
Chemical Name:
2-Pyrimidinemethanamine, 5-(ethylsulfonyl)-, hydrochloride (1:1)
CAS Number:
1649454-82-9
Molecular Formula:
C7H12ClN3O2S
Molecular Weight:
237.7071
MDL Number:
MFCD30179618
IUPAC Name:
(5-ethylsulfonylpyrimidin-2-yl)methanamine;hydrochloride
InChI:
InChI=1S/C7H11N3O2S.ClH/c1-2-13(11,12)6-4-9-7(3-8)10-5-6;/h4-5H,2-3,8H2,1H3;1H
InChI Key:
PBMMULUINNQSQJ-UHFFFAOYSA-N
SMILES:
NCc1ncc(cn1)S(=O)(=O)CC.Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.702g/mol
Monoisotopic Mass:
237.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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