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Home Carboxys tert-Butyl 1,4-diazepane-1-carboxylate

tert-Butyl 1,4-diazepane-1-carboxylate

CAS No.:
112275-50-0
Catalog Number:
AG0032P5
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$35
- +
25g
98%
In Stock USA
United States
$132
- +
100g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG0032P5
Chemical Name:
tert-Butyl 1,4-diazepane-1-carboxylate
CAS Number:
112275-50-0
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
MDL Number:
MFCD00276987
IUPAC Name:
tert-butyl 1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3
InChI Key:
WDPWEXWMQDRXAL-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCCC1)OC(C)(C)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.282g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis of a histamine H(3) receptor antagonist-manipulation of hydroxyproline stereochemistry, desymmetrization of homopiperazine, and nonextractive sodium triacetoxyborohydride reaction workup. The Journal of organic chemistry 20100702
Properties