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157825-88-2 | 1-Propanamine, 3-(methylsulfonyl)-, hydrochloride (1:1)
CAS No: 157825-88-2 Catalog No: AG001PQH MDL No:MFCD09744144
Product Description
Catalog Number:
AG001PQH
Chemical Name:
1-Propanamine, 3-(methylsulfonyl)-, hydrochloride (1:1)
CAS Number:
157825-88-2
Molecular Formula:
C4H12ClNO2S
Molecular Weight:
173.6616
MDL Number:
MFCD09744144
IUPAC Name:
3-methylsulfonylpropan-1-amine;hydrochloride
InChI:
InChI=1S/C4H11NO2S.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3;1H
InChI Key:
VJABSSGXEWXCLY-UHFFFAOYSA-N
SMILES:
NCCCS(=O)(=O)C.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.028g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.655g/mol
Monoisotopic Mass:
173.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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