(1R,5S,6r)-rel-3-Boc-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane - CAS 419572-18-2
Catalog: |
BB024997 |
Product Name: |
(1R,5S,6r)-rel-3-Boc-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane |
CAS: |
419572-18-2 |
Synonyms: |
exo-3-Boc-3-azabicyclo[3.1.0]hexane-6-methanol; 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester, (1α,5α,6α)-; 1,1-Dimethylethyl (1α,5α,6α)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate; (1R,5S,6r)-tert-Butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate; (1R,5S,6r)-rel-3-Boc-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane |
IUPAC Name: | tert-butyl (1R,5S,6r)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | O=C(OC(C)(C)C)N1CC2C(CO)C2C1 |
InChI: | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+ |
InChI Key: | JVIDPFGQYMFQDZ-BRPSZJMVNA-N |
Boiling Point: | 307.5±15.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.157±0.06 g/cm3 |
Storage: | Store at 2-8°C |
MDL: | MFCD14525755 |
LogP: | 1.02950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021094971-A1 | Heterocyclic compounds | 20190909 |
WO-2021030711-A1 | Alkynyl quinazoline compounds | 20190815 |
WO-2020074442-A1 | Phenyltetrazole derivatives as plasma kallikrein inhibitors | 20181010 |
EP-3863713-A1 | Phenyltetrazole derivatives as plasma kallikrein inhibitors | 20181010 |
US-11034672-B1 | Tyrosine kinase inhibitor compositions, methods of making and methods of use | 20180925 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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