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81506-50-5 | Ethanamine, N-ethyl-, methanesulfonate
CAS No: 81506-50-5 Catalog No: AG005K9J MDL No:
Product Description
Catalog Number:
AG005K9J
Chemical Name:
Ethanamine, N-ethyl-, methanesulfonate
CAS Number:
81506-50-5
Molecular Formula:
C5H15NO3S
Molecular Weight:
169.2425
IUPAC Name:
N-ethylethanamine;methanesulfonic acid
InChI:
InChI=1S/C4H11N.CH4O3S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;1H3,(H,2,3,4)
InChI Key:
HMJCTELBDUTXPQ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CCNCC
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.239g/mol
Monoisotopic Mass:
169.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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