Home Aminos 2-(benzylamino)ethyl hydrogen sulfate

2-(benzylamino)ethyl hydrogen sulfate

CAS No.:
2133-07-5
Catalog Number:
AG01DKG3
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DKG3
Chemical Name:
2-(benzylamino)ethyl hydrogen sulfate
CAS Number:
2133-07-5
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
MDL Number:
MFCD23135361
IUPAC Name:
2-(benzylamino)ethyl hydrogen sulfate
InChI:
InChI=1S/C9H13NO4S/c11-15(12,13)14-7-6-10-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,11,12,13)
InChI Key:
COMXZAIDKIXIKT-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)OCCNCc1ccccc1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.266g/mol
Monoisotopic Mass:
231.057g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  
Properties