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1457-19-8 | 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N,N,α-trimethyl-
CAS No: 1457-19-8 Catalog No: AG001DBF MDL No:
Product Description
Catalog Number:
AG001DBF
Chemical Name:
1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N,N,α-trimethyl-
CAS Number:
1457-19-8
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethylethanamine
InChI:
InChI=1S/C12H17NO2/c1-9(13(2)3)12-8-14-10-6-4-5-7-11(10)15-12/h4-7,9,12H,8H2,1-3H3
InChI Key:
KMGDYWOLQIXFAK-UHFFFAOYSA-N
SMILES:
CN(C(C1COc2c(O1)cccc2)C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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