Home Other Building Blocks 3-(propan-2-yl)-1,4-diazepan-2-one

3-(propan-2-yl)-1,4-diazepan-2-one

CAS No.:
1516979-48-8
Catalog Number:
AG01BU3F
Molecular Formula:
C8H16N2O
Molecular Weight:
156.2254
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Product Description
Catalog Number:
AG01BU3F
Chemical Name:
3-(propan-2-yl)-1,4-diazepan-2-one
CAS Number:
1516979-48-8
Molecular Formula:
C8H16N2O
Molecular Weight:
156.2254
MDL Number:
MFCD30731243
IUPAC Name:
3-propan-2-yl-1,4-diazepan-2-one
InChI:
InChI=1S/C8H16N2O/c1-6(2)7-8(11)10-5-3-4-9-7/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChI Key:
IVKXSIOJGWJYDA-UHFFFAOYSA-N
SMILES:
CC(C1NCCCNC1=O)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.126g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.229g/mol
Monoisotopic Mass:
156.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties