1,7-Diaza-spiro[4.4]nonane-7-carboxylic Acid tert-Butyl Ester - CAS 646055-63-2
Catalog: |
BB068205 |
Product Name: |
1,7-Diaza-spiro[4.4]nonane-7-carboxylic Acid tert-Butyl Ester |
CAS: |
646055-63-2 |
Synonyms: |
tert-butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate; 7-Boc-1,7-diaza-spiro[4.4]nonane; 1,7-Diazaspiro[4.4]nonane-7-carboxylic acid tert-butyl ester; 1,7-Diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester; 1,7-DIAZASPIRO[4.4]NONANE-7-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER; 7-Boc-1,7-diazaspiro[4.4]nonane |
IUPAC Name: | tert-butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate |
Description: | 1,7-Diaza-spiro[4.4]nonane-7-carboxylic Acid tert-Butyl Ester |
Molecular Weight: | 226.32 |
Molecular Formula: | C12H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(C1)CCCN2 |
InChI: | InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-6-12(9-14)5-4-7-13-12/h13H,4-9H2,1-3H3 |
InChI Key: | JMCDKYJLNLUCRX-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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