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10081-30-8

10081-30-8 | 1-Octanamine, N-octyl-, nitrate (1:1)

CAS No: 10081-30-8 Catalog No: AG0002Y3 MDL No:

Product Description

Catalog Number:
AG0002Y3
Chemical Name:
1-Octanamine, N-octyl-, nitrate (1:1)
CAS Number:
10081-30-8
Molecular Formula:
C16H36N2O3
Molecular Weight:
304.4686
IUPAC Name:
nitric acid;N-octyloctan-1-amine
InChI:
InChI=1S/C16H35N.HNO3/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2-1(3)4/h17H,3-16H2,1-2H3;(H,2,3,4)
InChI Key:
GZITXSOOJPBNRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.CCCCCCCCNCCCCCCCC

Properties

Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.273g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.475g/mol
Monoisotopic Mass:
304.273g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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