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10010-67-0

10010-67-0 | 1,4-Piperazinediethanesulfonic acid, sodium salt (1:1)

CAS No: 10010-67-0 Catalog No: AG0000XP MDL No:MFCD00065472

Product Description

Catalog Number:
AG0000XP
Chemical Name:
1,4-Piperazinediethanesulfonic acid, sodium salt (1:1)
CAS Number:
10010-67-0
Molecular Formula:
C8H17N2NaO6S2
Molecular Weight:
324.3502
MDL Number:
MFCD00065472
IUPAC Name:
sodium;2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate
InChI:
InChI=1S/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);/q;+1/p-1
InChI Key:
OGGAIRCLBMGXCZ-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O.[Na+]
EC Number:
233-005-3

Properties

Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.043g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.342g/mol
Monoisotopic Mass:
324.043g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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