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1637311-15-9 | 2-Pyridinemethanamine, 5-(ethylsulfonyl)-, hydrochloride (1:1)
CAS No: 1637311-15-9 Catalog No: AG001UCB MDL No:MFCD29049842
Product Description
Catalog Number:
AG001UCB
Chemical Name:
2-Pyridinemethanamine, 5-(ethylsulfonyl)-, hydrochloride (1:1)
CAS Number:
1637311-15-9
Molecular Formula:
C8H13ClN2O2S
Molecular Weight:
236.7190
MDL Number:
MFCD29049842
IUPAC Name:
(5-ethylsulfonylpyridin-2-yl)methanamine;hydrochloride
InChI:
InChI=1S/C8H12N2O2S.ClH/c1-2-13(11,12)8-4-3-7(5-9)10-6-8;/h3-4,6H,2,5,9H2,1H3;1H
InChI Key:
SZDGIZIMSMYWAV-UHFFFAOYSA-N
SMILES:
NCc1ccc(cn1)S(=O)(=O)CC.Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.714g/mol
Monoisotopic Mass:
236.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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