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23221-66-1 | 1-Butanaminium, N,N,N-tributyl-, phosphate (2:1)
CAS No: 23221-66-1 Catalog No: AG002MJU MDL No:
Product Description
Catalog Number:
AG002MJU
Chemical Name:
1-Butanaminium, N,N,N-tributyl-, phosphate (2:1)
CAS Number:
23221-66-1
Molecular Formula:
C32H73N2O4P
Molecular Weight:
580.9068
IUPAC Name:
hydrogen phosphate;tetrabutylazanium
InChI:
InChI=1S/2C16H36N.H3O4P/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H3,1,2,3,4)/q2*+1;/p-2
InChI Key:
CFYRHPJXXCHEFX-UHFFFAOYSA-L
SMILES:
[O-]P(=O)(O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.531g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
580.92g/mol
Monoisotopic Mass:
580.531g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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