Home Other Building Blocks 7-Methylazepan-2-one

7-Methylazepan-2-one

CAS No.:
1985-48-4
Catalog Number:
AG002BKT
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG002BKT
Chemical Name:
7-Methylazepan-2-one
CAS Number:
1985-48-4
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD19216808
IUPAC Name:
7-methylazepan-2-one
InChI:
InChI=1S/C7H13NO/c1-6-4-2-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
InChI Key:
JAWSTIJAWZBKOU-UHFFFAOYSA-N
SMILES:
CC1CCCCC(=O)N1
NSC Number:
400126
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. Journal of medicinal chemistry 20060309
Properties