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Home Carboxys 5-Oxo-[1,4]diazepane-1-carboxylic acid benzyl ester

5-Oxo-[1,4]diazepane-1-carboxylic acid benzyl ester

CAS No.:
18158-16-2
Catalog Number:
AG00APJG
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$46
- +
250mg
95%
In Stock USA
United States
$77
- +
1g
95%
In Stock USA
United States
$153
- +
5g
95%
In Stock USA
United States
$459
- +
Product Description
Catalog Number:
AG00APJG
Chemical Name:
5-Oxo-[1,4]diazepane-1-carboxylic acid benzyl ester
CAS Number:
18158-16-2
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD03426387
IUPAC Name:
benzyl 5-oxo-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C13H16N2O3/c16-12-6-8-15(9-7-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)
InChI Key:
FWIFVWFHEUKZII-UHFFFAOYSA-N
SMILES:
O=C1NCCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties