8-Aza-bicyclo[3.2.1]octane-3,8-dicarboxylic Acid 8-tert-Butyl Ester - CAS 1159826-74-0
Catalog: |
BB074274 |
Product Name: |
8-Aza-bicyclo[3.2.1]octane-3,8-dicarboxylic Acid 8-tert-Butyl Ester |
CAS: |
1159826-74-0 |
Synonyms: |
8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid; N-Boc-8-Azabicyclo[3.2.1]octane-3-carboxylic acid; 8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid; 8-Aza-bicyclo[3.2.1]octane-3,8-dicarboxylic acid 8-tert-butyl ester; exo-8-Boc-azabicyclo[3.2.1]octane-3-carboxylic acid; (1S,5S)-8-tert-Boc-8-azabicyclo-[3.2.1]octane-3-carboxylic acid; 8-AZABICYCLO[3.2.1]OCTANE-3,8-DICARBOXYLIC ACID, 8-(1,1-DIMETHYLETHYL) ESTER |
IUPAC Name: | 8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid |
Molecular Weight: | 255.31 |
Molecular Formula: | C13H21NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CCC1CC(C2)C(=O)O |
InChI: | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16) |
InChI Key: | HKXICUDOIXLKLJ-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: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.14705815 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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