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10081-31-9 | 1-Octanamine, N-octyl-, perchlorate (1:1)
CAS No: 10081-31-9 Catalog No: AG0002Y2 MDL No:
Product Description
Catalog Number:
AG0002Y2
Chemical Name:
1-Octanamine, N-octyl-, perchlorate (1:1)
CAS Number:
10081-31-9
Molecular Formula:
C16H36ClNO4
Molecular Weight:
341.9143
IUPAC Name:
N-octyloctan-1-amine;perchloric acid
InChI:
InChI=1S/C16H35N.ClHO4/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2-1(3,4)5/h17H,3-16H2,1-2H3;(H,2,3,4,5)
InChI Key:
SILRCPXIMNGYAF-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.CCCCCCCCNCCCCCCCC
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.233g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.917g/mol
Monoisotopic Mass:
341.233g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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