Home Sulfos (S)-4-(1-Hydrazinylethyl)benzoic Acid Ethyl Ester Benzenesulfonate

(S)-4-(1-Hydrazinylethyl)benzoic Acid Ethyl Ester Benzenesulfonate

CAS No.:
934495-38-2
Catalog Number:
AG00GTX3
Molecular Formula:
C17H22N2O5S
Molecular Weight:
366.4320
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Product Description
Catalog Number:
AG00GTX3
Chemical Name:
(S)-4-(1-Hydrazinylethyl)benzoic Acid Ethyl Ester Benzenesulfonate
CAS Number:
934495-38-2
Molecular Formula:
C17H22N2O5S
Molecular Weight:
366.4320
MDL Number:
MFCD27977977
IUPAC Name:
benzenesulfonic acid;ethyl 4-[(1S)-1-hydrazinylethyl]benzoate
InChI:
InChI=1S/C11H16N2O2.C6H6O3S/c1-3-15-11(14)10-6-4-9(5-7-10)8(2)13-12;7-10(8,9)6-4-2-1-3-5-6/h4-8,13H,3,12H2,1-2H3;1-5H,(H,7,8,9)/t8-;/m0./s1
InChI Key:
RKELBFSJSQMTLO-QRPNPIFTSA-N
SMILES:
OS(=O)(=O)c1ccccc1.CCOC(=O)c1ccc(cc1)[C@@H](NN)C
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
366.125g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
366.432g/mol
Monoisotopic Mass:
366.125g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties