Home Carbonyls sodium 2-[2-({[(tert-butoxy)carbonyl]amino}methyl)-1H-1,3-benzodiazol-1-yl]acetate

sodium 2-[2-({[(tert-butoxy)carbonyl]amino}methyl)-1H-1,3-benzodiazol-1-yl]acetate

CAS No.:
2060041-43-0
Catalog Number:
AG01C0LE
Molecular Formula:
C15H18N3NaO4
Molecular Weight:
327.3109
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Product Description
Catalog Number:
AG01C0LE
Chemical Name:
sodium 2-[2-({[(tert-butoxy)carbonyl]amino}methyl)-1H-1,3-benzodiazol-1-yl]acetate
CAS Number:
2060041-43-0
Molecular Formula:
C15H18N3NaO4
Molecular Weight:
327.3109
MDL Number:
MFCD30498055
IUPAC Name:
sodium;2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-1-yl]acetate
InChI:
InChI=1S/C15H19N3O4.Na/c1-15(2,3)22-14(21)16-8-12-17-10-6-4-5-7-11(10)18(12)9-13(19)20;/h4-7H,8-9H2,1-3H3,(H,16,21)(H,19,20);/q;+1/p-1
InChI Key:
OTWXNYDEIVAHAA-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2c1cccc2.[Na+]
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.12g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.316g/mol
Monoisotopic Mass:
327.12g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties