tert-butyl (2R,6R)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate - CAS 146337-39-5
Catalog: |
BB054392 |
Product Name: |
tert-butyl (2R,6R)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate |
CAS: |
146337-39-5 |
Synonyms: |
1-Piperidinecarboxylic acid, 4-hydroxy-2,6-dimethyl-, 1,1-dimethylethyl ester, (2R,6R)-rel-; 1-Piperidinecarboxylic acid, 4-hydroxy-2,6-dimethyl-, 1,1-dimethylethylester, (2a,4a,6b)-(A+/-)- |
IUPAC Name: | tert-butyl (2R,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate |
Molecular Weight: | 229.32 |
Molecular Formula: | C12H23NO3 |
Canonical SMILES: | CC1CC(CC(N1C(=O)OC(C)(C)C)C)O |
InChI: | InChI=1S/C12H23NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3/t8-,9-/m1/s1 |
InChI Key: | RNQIRWQBYRTJPG-RKDXNWHRSA-N |
Boiling Point: | 311.0±35.0 °C at 760 mmHg |
Density: | 1.0±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.1677936 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.1677936 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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