N-Boc-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane - CAS 850808-43-4
Catalog: |
BB072437 |
Product Name: |
N-Boc-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane |
CAS: |
850808-43-4 |
Synonyms: |
Tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate; N-BOC-6-(HYDROXYMETHYL)-3-AZABICYCLO[3.1.0]HEXANE; ENDO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-METHANOL; (1R,5S,6r)-rel-3-Boc-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane |
IUPAC Name: | tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2C(C1)C2CO |
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 |
InChI Key: | JVIDPFGQYMFQDZ-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: | 260 |
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: | 3 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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