N6-Boc-1,6-Diazaspiro[3.3]heptane Semi Oxalate - CAS 1431868-60-8
Catalog: |
BB068223 |
Product Name: |
N6-Boc-1,6-Diazaspiro[3.3]heptane Semi Oxalate |
CAS: |
1431868-60-8 |
Synonyms: |
1, 6- Diazaspiro[3.3] heptane- 6- carboxylic acid 1, 1- Dimethylethyl Ester Ethanedioate (2:1) |
IUPAC Name: | tert-butyl 1,6-diazaspiro[3.3]heptane-6-carboxylateoxalic acid |
Description: | 1, 6- Diazaspiro[3.3] heptane- 6- carboxylic acid, 1, 1- dimethylethyl Ester is a reagent used in the synthesis of antivirals, specifically towards pneumovirinae. |
Molecular Weight: | 198.26 + [45.015] |
Molecular Formula: | C10H18N2O2·0·5[C2H2O4] |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2(C1)CCN2.CC(C)(C)OC(=O)N1CC2(C1)CCN2.C(=O)(C(=O)O)O |
InChI: | InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-5-11-103-1(4)2(5)6/h2*11H,4-7H2,1-3H3(H,3,4)(H,5,6) |
InChI Key: | MGTPGQCATJIULY-UHFFFAOYSA-N |
Complexity: | 323 |
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: | 158Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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