Home Other Building Blocks 3-ethyl-1-methyl-1,4-diazepane-2,5-dione

3-ethyl-1-methyl-1,4-diazepane-2,5-dione

CAS No.:
1483527-25-8
Catalog Number:
AG01BHFR
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
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Product Description
Catalog Number:
AG01BHFR
Chemical Name:
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
CAS Number:
1483527-25-8
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
MDL Number:
MFCD20434939
IUPAC Name:
3-ethyl-1-methyl-1,4-diazepane-2,5-dione
InChI:
InChI=1S/C8H14N2O2/c1-3-6-8(12)10(2)5-4-7(11)9-6/h6H,3-5H2,1-2H3,(H,9,11)
InChI Key:
SJTNNFGTDIJGAC-UHFFFAOYSA-N
SMILES:
CCC1NC(=O)CCN(C1=O)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties