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Home Other Building Blocks 1,4-Diazepan-5-one

1,4-Diazepan-5-one

CAS No.:
34376-54-0
Catalog Number:
AG00BYSJ
Molecular Formula:
C5H10N2O
Molecular Weight:
114.1457
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$169
- +
5g
95%
In Stock USA
United States
$678
- +
25g
95%
In Stock USA
United States
$2714
- +
Product Description
Catalog Number:
AG00BYSJ
Chemical Name:
1,4-Diazepan-5-one
CAS Number:
34376-54-0
Molecular Formula:
C5H10N2O
Molecular Weight:
114.1457
MDL Number:
MFCD00766804
IUPAC Name:
1,4-diazepan-5-one
InChI:
InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)
InChI Key:
QPPLBCQXWDBQFS-UHFFFAOYSA-N
SMILES:
O=C1NCCNCC1
Properties
Complexity:
92.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.079g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
114.148g/mol
Monoisotopic Mass:
114.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
6-Methyl-2,7-diphenyl-1,4-diazepan-5-one. Acta crystallographica. Section E, Structure reports online 20091201
Synthesis and evaluation of (S,S)-N,N'-bis-[3-(2,2',6,6'-tetramethylbenzhydryloxy)-2-hydroxy-propyl]-ethylenediamine (S2824) analogs with anti-tuberculosis activity. Bioorganic & medicinal chemistry letters 20091101
1-Benzyl-1,4-diazepan-5-one. Acta crystallographica. Section E, Structure reports online 20080301
Properties