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2452-81-5 | 1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-, perchlorate (1:1)
CAS No: 2452-81-5 Catalog No: AG002OEY MDL No:
Product Description
Catalog Number:
AG002OEY
Chemical Name:
1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-, perchlorate (1:1)
CAS Number:
2452-81-5
Molecular Formula:
C20H44ClNO4
Molecular Weight:
398.0207
IUPAC Name:
tetrakis(3-methylbutyl)azanium;perchlorate
InChI:
InChI=1S/C20H44N.ClHO4/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;2-1(3,4)5/h17-20H,9-16H2,1-8H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
XYRRNYABRDBSSW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC(CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.296g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.025g/mol
Monoisotopic Mass:
397.296g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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