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102601-34-3 | 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)
CAS No: 102601-34-3 Catalog No: AG0007VQ MDL No:MFCD00070063
Product Description
Catalog Number:
AG0007VQ
Chemical Name:
1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1)
CAS Number:
102601-34-3
Molecular Formula:
C9H18NNaO4S
Molecular Weight:
259.2983
MDL Number:
MFCD00070063
IUPAC Name:
sodium;3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate
InChI:
InChI=1S/C9H19NO4S.Na/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8;/h8-11H,1-7H2,(H,12,13,14);/q;+1/p-1
InChI Key:
GGPORGHJKBOGDV-UHFFFAOYSA-M
SMILES:
OC(CS(=O)(=O)[O-])CNC1CCCCC1.[Na+]
EC Number:
700-631-8
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.296g/mol
Monoisotopic Mass:
259.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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