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Home Other Building Blocks 1-Boc-3-oxo-1,4-diazepane

1-Boc-3-oxo-1,4-diazepane

CAS No.:
179686-38-5
Catalog Number:
AG00277B
Molecular Formula:
C10H18N2O3
Molecular Weight:
214.2615
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$42
- +
250mg
95%
In Stock USA
United States
$81
- +
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$563
- +
10g
98%
In Stock USA
United States
$900
- +
25g
98%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG00277B
Chemical Name:
1-Boc-3-oxo-1,4-diazepane
CAS Number:
179686-38-5
Molecular Formula:
C10H18N2O3
Molecular Weight:
214.2615
MDL Number:
MFCD11975719
IUPAC Name:
tert-butyl 3-oxo-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-8(13)7-12/h4-7H2,1-3H3,(H,11,13)
InChI Key:
ITRUBUQWGNAYGG-UHFFFAOYSA-N
SMILES:
O=C1NCCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.132g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.265g/mol
Monoisotopic Mass:
214.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties