tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate - CAS 956317-40-1
Catalog: |
BB041781 |
Product Name: |
tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate |
CAS: |
956317-40-1 |
Synonyms: |
6-hydroxy-1,4-diazepane-1-carboxylic acid tert-butyl ester; tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate |
IUPAC Name: | tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate |
Description: | tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate (CAS# 956317-40-1 ) is a useful research chemical. |
Molecular Weight: | 216.281 |
Molecular Formula: | C10H20N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC(C1)O |
InChI: | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(13)7-12/h8,11,13H,4-7H2,1-3H3 |
InChI Key: | GBVLDEOLVSGEJQ-UHFFFAOYSA-N |
LogP: | 0.45430 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021074620-A1 | [1,4]oxazepino[2,3-c]qui noli none derivatives as blc6 inhibitors | 20191014 |
TW-202024065-A | Heterocyclyl compounds for the treatment of autoimmune disease | 20180927 |
TW-202016105-A | Novel heteroaryl heterocyclic compound for treating autoimmune diseases | 20180612 |
CN-112313228-A | Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases | 20180612 |
JP-2021526535-A | A novel heteroaryl heterocyclyl compound for the treatment of autoimmune diseases | 20180612 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.14739250 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.14739250 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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