Home Carboxys 6-Amino-5-oxo-[1,4]diazepane-1-carboxylic acid benzyl ester

6-Amino-5-oxo-[1,4]diazepane-1-carboxylic acid benzyl ester

CAS No.:
784156-97-4
Catalog Number:
AG005LZ2
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$1425
- +
1g
95%
1 week
United States
$2120
- +
5g
95%
1 week
United States
$3510
- +
Product Description
Catalog Number:
AG005LZ2
Chemical Name:
6-Amino-5-oxo-[1,4]diazepane-1-carboxylic acid benzyl ester
CAS Number:
784156-97-4
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
MDL Number:
MFCD03839818
IUPAC Name:
benzyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C13H17N3O3/c14-11-8-16(7-6-15-12(11)17)13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,17)
InChI Key:
SDCSGJAVJCCSOZ-UHFFFAOYSA-N
SMILES:
O=C1NCCN(CC1N)C(=O)OCc1ccccc1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties