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2641-90-9 | 1-Octanamine, N,N-dioctyl-, nitrate (1:1)
CAS No: 2641-90-9 Catalog No: AG002T3N MDL No:
Product Description
Catalog Number:
AG002T3N
Chemical Name:
1-Octanamine, N,N-dioctyl-, nitrate (1:1)
CAS Number:
2641-90-9
Molecular Formula:
C24H52N2O3
Molecular Weight:
416.6813
IUPAC Name:
N,N-dioctyloctan-1-amine;nitric acid
InChI:
InChI=1S/C24H51N.HNO3/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/h4-24H2,1-3H3;(H,2,3,4)
InChI Key:
DDURGSPOJBUJPY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.CCCCCCCCN(CCCCCCCC)CCCCCCCC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.398g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.691g/mol
Monoisotopic Mass:
416.398g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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