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67011-29-4 | 2-(1-(ETHYLMETHYLAMINO)ETHYL)-1,4-BENZODIOXAN
CAS No: 67011-29-4 Catalog No: AG0064KE MDL No:
Product Description
Catalog Number:
AG0064KE
Chemical Name:
2-(1-(ETHYLMETHYLAMINO)ETHYL)-1,4-BENZODIOXAN
CAS Number:
67011-29-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-N-methylethanamine
InChI:
InChI=1S/C13H19NO2/c1-4-14(3)10(2)13-9-15-11-7-5-6-8-12(11)16-13/h5-8,10,13H,4,9H2,1-3H3
InChI Key:
NMJPUZCRTZHNNA-UHFFFAOYSA-N
SMILES:
CCN(C(C1COc2c(O1)cccc2)C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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