Home Carbonyls lithium(1+) ion 2-[4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,3-triazol-1-yl]acetate

lithium(1+) ion 2-[4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,3-triazol-1-yl]acetate

CAS No.:
2138110-45-7
Catalog Number:
AG01EIOO
Molecular Formula:
C11H17LiN4O4
Molecular Weight:
276.2181
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Product Description
Catalog Number:
AG01EIOO
Chemical Name:
lithium(1+) ion 2-[4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,3-triazol-1-yl]acetate
CAS Number:
2138110-45-7
Molecular Formula:
C11H17LiN4O4
Molecular Weight:
276.2181
MDL Number:
MFCD31559109
IUPAC Name:
lithium;2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-1-yl]acetate
InChI:
InChI=1S/C11H18N4O4.Li/c1-11(2,3)19-10(18)12-5-4-8-6-15(14-13-8)7-9(16)17;/h6H,4-5,7H2,1-3H3,(H,12,18)(H,16,17);/q;+1/p-1
InChI Key:
UEMZAHVRSRKRRD-UHFFFAOYSA-M
SMILES:
O=C(OC(C)(C)C)NCCc1nnn(c1)CC(=O)[O-].[Li+]
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.141g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.221g/mol
Monoisotopic Mass:
276.141g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties