N-Boc-6-hydroxy-3-azabicyclo[3.2.0]heptane - CAS 663172-78-9
Catalog: |
BB032986 |
Product Name: |
N-Boc-6-hydroxy-3-azabicyclo[3.2.0]heptane |
CAS: |
663172-78-9 |
Synonyms: |
6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylic acid tert-butyl ester; tert-butyl 6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylate |
IUPAC Name: | tert-butyl 6-hydroxy-3-azabicyclo[3.2.0]heptane-3-carboxylate |
Description: | N-Boc-6-hydroxy-3-azabicyclo[3.2.0]heptane (CAS# 663172-78-9) is a useful research chemical. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CC(C2C1)O |
InChI: | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-5-7-4-9(13)8(7)6-12/h7-9,13H,4-6H2,1-3H3 |
InChI Key: | UCFRPUSUNQPJRS-UHFFFAOYSA-N |
Boiling Point: | 310.335 °C at 760 mmHg |
Density: | 1.182 g/cm3 |
LogP: | 1.17200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2014318838-A1 | Tricyclic gyrase inhibitors | 20130911 |
RU-2680138-C2 | Tricyclic gyrase inhibitors | 20130911 |
US-10385055-B2 | Tricyclic gyrase inhibitors | 20130911 |
US-2016222015-A1 | Tricyclic gyrase inhibitors | 20130911 |
AU-2012292858-A1 | PIM kinase inhibitor and preparation method and use in medicinal manufacture thereof | 20110811 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 2 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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