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114094-45-0 | 1-Butanamine, 4,4-diethoxy-N-methyl-
CAS No: 114094-45-0 Catalog No: AG000AJF MDL No:MFCD09840912
Product Description
Catalog Number:
AG000AJF
Chemical Name:
1-Butanamine, 4,4-diethoxy-N-methyl-
CAS Number:
114094-45-0
Molecular Formula:
C9H21NO2
Molecular Weight:
175.2685
MDL Number:
MFCD09840912
IUPAC Name:
4,4-diethoxy-N-methylbutan-1-amine
InChI:
InChI=1S/C9H21NO2/c1-4-11-9(12-5-2)7-6-8-10-3/h9-10H,4-8H2,1-3H3
InChI Key:
PUDDNHSIGUYGOH-UHFFFAOYSA-N
SMILES:
CNCCCC(OCC)OCC
Properties
Complexity:
82.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.157g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.272g/mol
Monoisotopic Mass:
175.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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