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827622-73-1 | 1-Octanesulfonic acid, compd. with 1-octanamine (1:1)
CAS No: 827622-73-1 Catalog No: AG004Y4L MDL No:
Product Description
Catalog Number:
AG004Y4L
Chemical Name:
1-Octanesulfonic acid, compd. with 1-octanamine (1:1)
CAS Number:
827622-73-1
Molecular Formula:
C16H37NO3S
Molecular Weight:
323.5349
IUPAC Name:
octan-1-amine;octane-1-sulfonic acid
InChI:
InChI=1S/C8H19N.C8H18O3S/c1-2-3-4-5-6-7-8-9;1-2-3-4-5-6-7-8-12(9,10)11/h2-9H2,1H3;2-8H2,1H3,(H,9,10,11)
InChI Key:
IBTPMBGIDCJIMV-UHFFFAOYSA-N
SMILES:
CCCCCCCCN.CCCCCCCCS(=O)(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.249g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.536g/mol
Monoisotopic Mass:
323.249g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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