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Home Carboxys Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate

Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate

CAS No.:
459417-40-4
Catalog Number:
AG00I8JS
Molecular Formula:
C15H26N2O5
Molecular Weight:
314.3773
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$139
- +
250mg
95%
In Stock USA
United States
$255
- +
1g
95%
In Stock USA
United States
$509
- +
5g
95%
In Stock USA
United States
$1525
- +
Product Description
Catalog Number:
AG00I8JS
Chemical Name:
Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate
CAS Number:
459417-40-4
Molecular Formula:
C15H26N2O5
Molecular Weight:
314.3773
MDL Number:
MFCD21362344
IUPAC Name:
ditert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate
InChI:
InChI=1S/C15H26N2O5/c1-14(2,3)21-12(19)16-7-8-17(10-11(18)9-16)13(20)22-15(4,5)6/h7-10H2,1-6H3
InChI Key:
PWHYEWGIMWCYTP-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC(=O)C1)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.184g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.382g/mol
Monoisotopic Mass:
314.184g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties