2-Chloro-N-isopropylacetamide - CAS 2895-21-8
Catalog: |
BB020025 |
Product Name: |
2-Chloro-N-isopropylacetamide |
CAS: |
2895-21-8 |
Synonyms: |
2-chloro-N-propan-2-ylacetamide; 2-chloro-N-propan-2-ylacetamide |
IUPAC Name: | 2-chloro-N-propan-2-ylacetamide |
Description: | 2-Chloro-N-isopropylacetamide (CAS# 2895-21-8) is an intermediate in synthesizing Prothoate (P838810), which can be used as analyte in analytical study of a new method of detecting multi-residue of organophosphorus pesticide. |
Molecular Weight: | 135.59 |
Molecular Formula: | C5H10ClNO |
Canonical SMILES: | CC(C)NC(=O)CCl |
InChI: | InChI=1S/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8) |
InChI Key: | GYPNJSBBOATUPK-UHFFFAOYSA-N |
Boiling Point: | 250.6 °C at 760 mmHg |
Density: | 1.052 g/cm3 |
MDL: | MFCD00068034 |
LogP: | 1.14070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
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PMID | Publication Date | Title | Journal |
1768085 | 19910801 | Propachlor degradation by a soil bacterial community | Applied and environmental microbiology |
Complexity: | 82.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.0450916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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