200,000+ products from a single source!
sales@angenechem.com
102520-38-7 | 1-Pentanamine, 4-methylbenzenesulfonate (1:1)
CAS No: 102520-38-7 Catalog No: AG0007NE MDL No:
Product Description
Catalog Number:
AG0007NE
Chemical Name:
1-Pentanamine, 4-methylbenzenesulfonate (1:1)
CAS Number:
102520-38-7
Molecular Formula:
C12H21NO3S
Molecular Weight:
259.3650
IUPAC Name:
4-methylbenzenesulfonic acid;pentan-1-amine
InChI:
InChI=1S/C7H8O3S.C5H13N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4-5-6/h2-5H,1H3,(H,8,9,10);2-6H2,1H3
InChI Key:
HANNWXBUJKSILN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCCCCN
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.124g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.364g/mol
Monoisotopic Mass:
259.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.