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24902-44-1 | 1-Butanaminium, 4-ethoxy-2-hydroxy-N,N,N-trimethyl-4-oxo-
CAS No: 24902-44-1 Catalog No: AG002PSP MDL No:
Product Description
Catalog Number:
AG002PSP
Chemical Name:
1-Butanaminium, 4-ethoxy-2-hydroxy-N,N,N-trimethyl-4-oxo-
CAS Number:
24902-44-1
Molecular Formula:
C9H20NO3+
Molecular Weight:
190.2600
IUPAC Name:
(4-ethoxy-2-hydroxy-4-oxobutyl)-trimethylazanium
InChI:
InChI=1S/C9H20NO3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h8,11H,5-7H2,1-4H3/q+1
InChI Key:
LIVZKOLXSFTCAZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C[N+](C)(C)C)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.144g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.263g/mol
Monoisotopic Mass:
190.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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