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100254-21-5 | Acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)-
CAS No: 100254-21-5 Catalog No: AG0001E7 MDL No:MFCD04628440
Product Description
Catalog Number:
AG0001E7
Chemical Name:
Acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)-
CAS Number:
100254-21-5
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD04628440
IUPAC Name:
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)acetamide;hydrochloride
InChI:
InChI=1S/C12H16N2O3.ClH/c1-2-13-8-12(15)14-9-3-4-10-11(7-9)17-6-5-16-10;/h3-4,7,13H,2,5-6,8H2,1H3,(H,14,15);1H
InChI Key:
PTMMYHGFROTKLS-UHFFFAOYSA-N
SMILES:
CCNCC(=O)Nc1ccc2c(c1)OCCO2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.729g/mol
Monoisotopic Mass:
272.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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