| CAS Number | 877177-42-9 |
| Catalog Number | AG00H3XP(AGN-PC-0CNE7E) |
| Chemical Name | tert-butyl 4-nitrosopiperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-nitrosopiperazine-1-carboxylate |
| InChI | InChI=1S/C9H17N3O3/c1-9(2,3)15-8(13)11-4-6-12(10-14)7-5-11/h4-7H2,1-3H3 |
| InChI Key | JSDOTLMZJULKCP-UHFFFAOYSA-N |
| MDL Number | MFCD16990498 |
| Molecular Formula | C9H17N3O3 |
| Molecular Weight | 215.2496 |
| SMILES | C(=O)(OC(C)(C)C)N1CCN(CC1)N=O |
| Synonyms | tert-butyl 4-nitrosopiperazine-1-carboxylate,
877177-42-9,
SCHEMBL971199,
JSDOTLMZJULKCP-UHFFFAOYSA-N,
ZINC114944465,
DA-40948,
FT-0712781,
1,1-dimethylethyl 4-nitroso-1-piperazinecarboxylate,
4-nitrosopiperazine-1-carboxylic acid tert-butyl ester,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.253g/mol |
| Monoisotopic Mass | 215.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number