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1138-84-7

1138-84-7 | 1-Propanesulfonic acid, 3-[(phenylmethyl)amino]-

CAS No: 1138-84-7 Catalog No: AG0009Q8 MDL No:

Product Description

Catalog Number:
AG0009Q8
Chemical Name:
1-Propanesulfonic acid, 3-[(phenylmethyl)amino]-
CAS Number:
1138-84-7
Molecular Formula:
C10H15NO3S
Molecular Weight:
229.2960
IUPAC Name:
3-(benzylamino)propane-1-sulfonic acid
InChI:
InChI=1S/C10H15NO3S/c12-15(13,14)8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,12,13,14)
InChI Key:
CPPHSWZWNSTFGV-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCNCc1ccccc1

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.294g/mol
Monoisotopic Mass:
229.077g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

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