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1457-20-1 | 1,4-Benzodioxin-2-methanamine, N,N-diethyl-2,3-dihydro-α-methyl-
CAS No: 1457-20-1 Catalog No: AG001DC5 MDL No:
Product Description
Catalog Number:
AG001DC5
Chemical Name:
1,4-Benzodioxin-2-methanamine, N,N-diethyl-2,3-dihydro-α-methyl-
CAS Number:
1457-20-1
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylethanamine
InChI:
InChI=1S/C14H21NO2/c1-4-15(5-2)11(3)14-10-16-12-8-6-7-9-13(12)17-14/h6-9,11,14H,4-5,10H2,1-3H3
InChI Key:
UZMHRXRCOWWOQJ-UHFFFAOYSA-N
SMILES:
CCN(C(C1COc2c(O1)cccc2)C)CC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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