2-(1,1-Dimethylethyl)-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester Hydrochloride - CAS 1381947-73-4
Catalog: |
BB067170 |
Product Name: |
2-(1,1-Dimethylethyl)-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester Hydrochloride |
CAS: |
1381947-73-4 |
Synonyms: |
1-Boc-2-tert-Butylpiperazine hydrochloride; tert-butyl 2-tert-butylpiperazine-1-carboxylate hydrochloride; 1-Piperazinecarboxylic acid, 2-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1); tert-butyl 2-tert-butylpiperazine-1-carboxylate; hydrochloride; N-Boc-2-tert-butylpiperazine HCl; 1-Boc-2-tert-Butylpiperazine HCl |
IUPAC Name: | tert-butyl 2-tert-butylpiperazine-1-carboxylatehydrochloride |
Description: | 2-(1,1-Dimethylethyl)-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester Hydrochloride is a useful synthetic intermediate. |
Molecular Weight: | 242.358 + 36.461 |
Molecular Formula: | C13H26N2O2·HCl |
Canonical SMILES: | CC(C)(C)C1CNCCN1C(=O)OC(C)(C)C.Cl |
InChI: | InChI=1S/C13H26N2O2.ClH/c1-12(2,3)10-9-14-7-8-15(10)11(16)17-13(4,5)6/h10,14H,7-9H2,1-6H31H |
InChI Key: | ADQLANUYQADSBC-UHFFFAOYSA-N |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.1761058 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.1761058 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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