1-Amino-6-Boc-6-azaspiro[2.5]octane - CAS 1233323-55-1
Catalog: |
BB005663 |
Product Name: |
1-Amino-6-Boc-6-azaspiro[2.5]octane |
CAS: |
1233323-55-1 |
Synonyms: |
2-amino-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester; tert-butyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate |
IUPAC Name: | tert-butyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate |
Description: | 1-Amino-6-Boc-6-azaspiro[2.5]octane (CAS# 1233323-55-1) is a useful research chemical. |
Molecular Weight: | 226.32 |
Molecular Formula: | C12H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CC1)CC2N |
InChI: | InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-9(12)13/h9H,4-8,13H2,1-3H3 |
InChI Key: | QZRDFJCRLZNCPN-UHFFFAOYSA-N |
Boiling Point: | 319 ℃ |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
LogP: | 2.37290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020150115-A1 | Nlrp3 modulators | 20190114 |
KR-20210116529-A | NLRP3 modulators | 20190114 |
WO-2012047703-A2 | Cyclopropyl-spiro-piperidines useful as sodium channel blockers | 20101004 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Amines and Anilines
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