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201208-62-0 | 1-Propanesulfonic acid, 3,3'-[1,2-ethanediylbis(ethylimino)]bis- (9CI)
CAS No: 201208-62-0 Catalog No: AG002D9T MDL No:
Product Description
Catalog Number:
AG002D9T
Chemical Name:
1-Propanesulfonic acid, 3,3'-[1,2-ethanediylbis(ethylimino)]bis- (9CI)
CAS Number:
201208-62-0
Molecular Formula:
C12H28N2O6S2
Molecular Weight:
360.4905
IUPAC Name:
3-[ethyl-[2-[ethyl(3-sulfopropyl)amino]ethyl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C12H28N2O6S2/c1-3-13(7-5-11-21(15,16)17)9-10-14(4-2)8-6-12-22(18,19)20/h3-12H2,1-2H3,(H,15,16,17)(H,18,19,20)
InChI Key:
VNIHQKYQIDQICZ-UHFFFAOYSA-N
SMILES:
CCN(CCN(CCCS(=O)(=O)O)CC)CCCS(=O)(=O)O
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.139g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.484g/mol
Monoisotopic Mass:
360.139g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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