Home Carboxys sodium 1-[(tert-butoxy)carbonyl]-4-(piperidin-1-yl)piperidine-4-carboxylate

sodium 1-[(tert-butoxy)carbonyl]-4-(piperidin-1-yl)piperidine-4-carboxylate

CAS No.:
2138187-39-8
Catalog Number:
AG01EIMR
Molecular Formula:
C16H27N2NaO4
Molecular Weight:
334.3864
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Product Description
Catalog Number:
AG01EIMR
Chemical Name:
sodium 1-[(tert-butoxy)carbonyl]-4-(piperidin-1-yl)piperidine-4-carboxylate
CAS Number:
2138187-39-8
Molecular Formula:
C16H27N2NaO4
Molecular Weight:
334.3864
MDL Number:
MFCD31558742
IUPAC Name:
sodium;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate
InChI:
InChI=1S/C16H28N2O4.Na/c1-15(2,3)22-14(21)17-11-7-16(8-12-17,13(19)20)18-9-5-4-6-10-18;/h4-12H2,1-3H3,(H,19,20);/q;+1/p-1
InChI Key:
YERPYWBBWOFQMI-UHFFFAOYSA-M
SMILES:
O=C(N1CCC(CC1)(C(=O)[O-])N1CCCCC1)OC(C)(C)C.[Na+]
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.187g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.392g/mol
Monoisotopic Mass:
334.187g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties