Home Carboxys tert-butyl 2-(azetidin-3-yl)azepane-1-carboxylate

tert-butyl 2-(azetidin-3-yl)azepane-1-carboxylate

CAS No.:
1936689-54-1
Catalog Number:
AG01C4CC
Molecular Formula:
C14H26N2O2
Molecular Weight:
254.3684
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Product Description
Catalog Number:
AG01C4CC
Chemical Name:
tert-butyl 2-(azetidin-3-yl)azepane-1-carboxylate
CAS Number:
1936689-54-1
Molecular Formula:
C14H26N2O2
Molecular Weight:
254.3684
MDL Number:
MFCD29991308
IUPAC Name:
tert-butyl 2-(azetidin-3-yl)azepane-1-carboxylate
InChI:
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-6-4-5-7-12(16)11-9-15-10-11/h11-12,15H,4-10H2,1-3H3
InChI Key:
BXSICPVDPAXVJE-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1C1CNC1)OC(C)(C)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.199g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.374g/mol
Monoisotopic Mass:
254.199g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties