2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate - CAS 1041026-71-4
Catalog: |
BB042381 |
Product Name: |
2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate |
CAS: |
1041026-71-4 |
Synonyms: |
tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate(2:1); tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate;2-Boc-2,6-diazaspiro[3.3]heptane hemioxalate; 2,6-Diazaspiro[3.3]heptane-2-carboxylicacid,1,1-diMethylethylester,hemioxalate; 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid 1,1-dimethylethyl Ester Ethanedioate (2:1) |
IUPAC Name: | tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;oxalic acid |
Description: | 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate (CAS# 1041026-71-4 ) is a useful research chemical. |
Molecular Weight: | 486.6 |
Molecular Formula: | C22H38N4O8 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2(C1)CNC2.CC(C)(C)OC(=O)N1CC2(C1)CNC2.C(=O)(C(=O)O)O |
InChI: | InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6) |
InChI Key: | PYRAMVPOMDHTNX-UHFFFAOYSA-N |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 486.26896418 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 486.26896418 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 158 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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