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89003-67-8 | 1H-Azepine-2,5-dione, tetrahydro-6-[2-(4-morpholinyl)ethyl]-
CAS No: 89003-67-8 Catalog No: AG00451Y MDL No:
Product Description
Catalog Number:
AG00451Y
Chemical Name:
1H-Azepine-2,5-dione, tetrahydro-6-[2-(4-morpholinyl)ethyl]-
CAS Number:
89003-67-8
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
6-(2-morpholin-4-ylethyl)azepane-2,5-dione
InChI:
InChI=1S/C12H20N2O3/c15-11-1-2-12(16)13-9-10(11)3-4-14-5-7-17-8-6-14/h10H,1-9H2,(H,13,16)
InChI Key:
YQHQJEAMAXDCII-UHFFFAOYSA-N
SMILES:
O=C1NCC(C(=O)CC1)CCN1CCOCC1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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