Home Carbonyls 1-(tert-Butoxycarbonyl)hexahydroazepine

1-(tert-Butoxycarbonyl)hexahydroazepine

CAS No.:
123387-52-0
Catalog Number:
AG000KHV
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$44
- +
1g
95%
In Stock USA
United States
$91
- +
5g
95%
In Stock USA
United States
$271
- +
10g
95%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG000KHV
Chemical Name:
1-(tert-Butoxycarbonyl)hexahydroazepine
CAS Number:
123387-52-0
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
MDL Number:
MFCD18252672
IUPAC Name:
tert-butyl azepane-1-carboxylate
InChI:
InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-9H2,1-3H3
InChI Key:
QZBSPLNCSRGMBA-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1)OC(C)(C)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties