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102128-78-9 | Propanamide, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-N-methyl-
CAS No: 102128-78-9 Catalog No: AG0006P6 MDL No:
Product Description
Catalog Number:
AG0006P6
Chemical Name:
Propanamide, 3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-N-methyl-
CAS Number:
102128-78-9
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-methylpropanamide
InChI:
InChI=1S/C13H18N2O3/c1-14-13(16)6-7-15-8-10-9-17-11-4-2-3-5-12(11)18-10/h2-5,10,15H,6-9H2,1H3,(H,14,16)
InChI Key:
ZTWTVQAXEPWJMT-UHFFFAOYSA-N
SMILES:
CNC(=O)CCNCC1COc2c(O1)cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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