1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal - CAS 54621-18-0
Catalog: |
BB028740 |
Product Name: |
1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal |
CAS: |
54621-18-0 |
Synonyms: |
8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid |
IUPAC Name: | 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid |
Description: | 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal (CAS# 54621-18-0) is a useful chemical compound in study of altering in vivo macrophage responses with modified polymer properties. |
Molecular Weight: | 201.22 |
Molecular Formula: | C9H15NO4 |
Canonical SMILES: | C1CC2(CCC1(C(=O)O)N)OCCO2 |
InChI: | InChI=1S/C9H15NO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6,10H2,(H,11,12) |
InChI Key: | HIIFALCQUKTUHB-UHFFFAOYSA-N |
Boiling Point: | 372.1 ℃ at 760 mmHg |
Density: | 1.32 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03790906 |
LogP: | 0.78590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
TW-202106671-A | Modulators of the integrated stress pathway | 20190430 |
WO-2020114474-A1 | Heterocyclic compound, application thereof and pharmaceutical composition containing same | 20181206 |
JP-2021521221-A | Methods for Preparing Esters of N-Acyl Amino Acids with Acid-Unstable Ketone Protective Functional Groups | 20180417 |
US-2021139450-A1 | Process for preparing esters of n-acylated amino acids with acid-labile keto protective group functions | 20180417 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.10010796 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.9 |
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