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2861-99-6 | 1-Octanamine, N,N-dioctyl-, perchlorate (1:1)
CAS No: 2861-99-6 Catalog No: AG002VVC MDL No:
Product Description
Catalog Number:
AG002VVC
Chemical Name:
1-Octanamine, N,N-dioctyl-, perchlorate (1:1)
CAS Number:
2861-99-6
Molecular Formula:
C24H52ClNO4
Molecular Weight:
454.1270
IUPAC Name:
N,N-dioctyloctan-1-amine;perchloric acid
InChI:
InChI=1S/C24H51N.ClHO4/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3,4)5/h4-24H2,1-3H3;(H,2,3,4,5)
InChI Key:
PQCDODDQLNVOID-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.CCCCCCCCN(CCCCCCCC)CCCCCCCC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.358g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.133g/mol
Monoisotopic Mass:
453.358g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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