2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane - CAS 57620-56-1
Catalog: |
BB029770 |
Product Name: |
2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane |
CAS: |
57620-56-1 |
Synonyms: |
2-(3-methyl-3-nitrobutyl)-1,3-dioxolane |
IUPAC Name: | 2-(3-methyl-3-nitrobutyl)-1,3-dioxolane |
Description: | 2-(3-Methyl-3-nitrobutyl)-1,3-dioxolane (CAS# 57620-56-1 ) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C8H15NO4 |
Canonical SMILES: | CC(C)(CCC1OCCO1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H15NO4/c1-8(2,9(10)11)4-3-7-12-5-6-13-7/h7H,3-6H2,1-2H3 |
InChI Key: | ONLCLPRCWSOGPM-UHFFFAOYSA-N |
Boiling Point: | 98-99 ℃ / 1 mmHg (lit.) |
Density: | 1.13 g/cm3 |
MDL: | MFCD00134245 |
LogP: | 1.71800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2005068067-A | Method for purifying 5,5-dimethylpyrroline-N-oxide | 20030825 |
JP-H11335275-A | Nitron derivative transdermal agent | 19980324 |
CA-2265053-A1 | Nitrone derivatives | 19960926 |
EP-0945426-A1 | Nitrone derivatives | 19960926 |
KR-20000048601-A | Nitrone derivatives | 19960926 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.10010796 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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