Home Sulfos 2-amino-3,3,3-trifluoropropan-1-ol 4-methylbenzenesulfonate

2-amino-3,3,3-trifluoropropan-1-ol 4-methylbenzenesulfonate

CAS No.:
2102410-93-3
Catalog Number:
AG01DJFE
Molecular Formula:
C10H14F3NO4S
Molecular Weight:
301.2827
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Product Description
Catalog Number:
AG01DJFE
Chemical Name:
2-amino-3,3,3-trifluoropropan-1-ol 4-methylbenzenesulfonate
CAS Number:
2102410-93-3
Molecular Formula:
C10H14F3NO4S
Molecular Weight:
301.2827
MDL Number:
MFCD31555381
IUPAC Name:
2-amino-3,3,3-trifluoropropan-1-ol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C3H6F3NO/c1-6-2-4-7(5-3-6)11(8,9)10;4-3(5,6)2(7)1-8/h2-5H,1H3,(H,8,9,10);2,8H,1,7H2
InChI Key:
PUSAAUQBWCQNLH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCC(C(F)(F)F)N
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.06g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
301.28g/mol
Monoisotopic Mass:
301.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties