Home Sulfos Pyrrolidine, 2-methyl-, (2R)-, 4-methylbenzenesulfonate (1:1)

Pyrrolidine, 2-methyl-, (2R)-, 4-methylbenzenesulfonate (1:1)

CAS No.:
204387-55-3
Catalog Number:
AG0029GM
Molecular Formula:
C12H19NO3S
Molecular Weight:
257.3492
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0029GM
Chemical Name:
Pyrrolidine, 2-methyl-, (2R)-, 4-methylbenzenesulfonate (1:1)
CAS Number:
204387-55-3
Molecular Formula:
C12H19NO3S
Molecular Weight:
257.3492
MDL Number:
MFCD07368911
IUPAC Name:
4-methylbenzenesulfonic acid;(2R)-2-methylpyrrolidine
InChI:
InChI=1S/C7H8O3S.C5H11N/c1-6-2-4-7(5-3-6)11(8,9)10;1-5-3-2-4-6-5/h2-5H,1H3,(H,8,9,10);5-6H,2-4H2,1H3/t;5-/m.1/s1
InChI Key:
ZXYDRZKLQBDQTN-QDXATWJZSA-N
SMILES:
C[C@@H]1CCCN1.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.348g/mol
Monoisotopic Mass:
257.109g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties