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138998-30-8 | 1-Butanaminium, N-ethyl-N,N-dimethyl-, perchlorate (1:1)
CAS No: 138998-30-8 Catalog No: AG0019ZE MDL No:
Product Description
Catalog Number:
AG0019ZE
Chemical Name:
1-Butanaminium, N-ethyl-N,N-dimethyl-, perchlorate (1:1)
CAS Number:
138998-30-8
Molecular Formula:
C8H20ClNO4
Molecular Weight:
229.7017
IUPAC Name:
butyl-ethyl-dimethylazanium;perchlorate
InChI:
InChI=1S/C8H20N.ClHO4/c1-5-7-8-9(3,4)6-2;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
YTEVZMPPIYHFQL-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCCC[N+](CC)(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.701g/mol
Monoisotopic Mass:
229.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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