Home Other Building Blocks 2-[3-(AMINOMETHYL)BENZENESULFONYL]ETHAN-1-OL

2-[3-(AMINOMETHYL)BENZENESULFONYL]ETHAN-1-OL

CAS No.:
1545764-84-8
Catalog Number:
AG01EMJ3
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
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Product Description
Catalog Number:
AG01EMJ3
Chemical Name:
2-[3-(AMINOMETHYL)BENZENESULFONYL]ETHAN-1-OL
CAS Number:
1545764-84-8
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
MDL Number:
MFCD24247758
IUPAC Name:
2-[3-(aminomethyl)phenyl]sulfonylethanol
InChI:
InChI=1S/C9H13NO3S/c10-7-8-2-1-3-9(6-8)14(12,13)5-4-11/h1-3,6,11H,4-5,7,10H2
InChI Key:
LTNGRHODEIDNRN-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1cccc(c1)CN
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties