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137944-64-0 | Dibenzo[b,e][1,4]dioxin-1-carboxamide, N-[2-(dimethylamino)ethyl]-7-methyl-, hydrochloride (1:1)
CAS No: 137944-64-0 Catalog No: AG0017PY MDL No:
Product Description
Catalog Number:
AG0017PY
Chemical Name:
Dibenzo[b,e][1,4]dioxin-1-carboxamide, N-[2-(dimethylamino)ethyl]-7-methyl-, hydrochloride (1:1)
CAS Number:
137944-64-0
Molecular Formula:
C18H21ClN2O3
Molecular Weight:
348.8239
IUPAC Name:
N-[2-(dimethylamino)ethyl]-7-methyldibenzo-p-dioxin-1-carboxamide;chloride
InChI:
InChI=1S/C18H20N2O3.ClH/c1-12-7-8-14-16(11-12)22-15-6-4-5-13(17(15)23-14)18(21)19-9-10-20(2)3;/h4-8,11H,9-10H2,1-3H3,(H,19,21);1H/p-1
InChI Key:
IWZKZCNLHMZCKJ-UHFFFAOYSA-M
SMILES:
CN(CCNC(=O)c1cccc2c1Oc1ccc(cc1O2)C)C.Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.116g/mol
Formal Charge:
-1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.819g/mol
Monoisotopic Mass:
347.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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