Home Sulfos 1H-1,4-Diazepine-1,4(5H)-diethanesulfonic acid, tetrahydro-

1H-1,4-Diazepine-1,4(5H)-diethanesulfonic acid, tetrahydro-

CAS No.:
202185-84-0
Catalog Number:
AG00284D
Molecular Formula:
C9H20N2O6S2
Molecular Weight:
316.3949
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Product Description
Catalog Number:
AG00284D
Chemical Name:
1H-1,4-Diazepine-1,4(5H)-diethanesulfonic acid, tetrahydro-
CAS Number:
202185-84-0
Molecular Formula:
C9H20N2O6S2
Molecular Weight:
316.3949
MDL Number:
MFCD00467737
IUPAC Name:
2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid
InChI:
InChI=1S/C9H20N2O6S2/c12-18(13,14)8-6-10-2-1-3-11(5-4-10)7-9-19(15,16)17/h1-9H2,(H,12,13,14)(H,15,16,17)
InChI Key:
QZTMPPUJIVQNKS-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCN1CCCN(CC1)CCS(=O)(=O)O
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.076g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.387g/mol
Monoisotopic Mass:
316.076g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.4  
Properties