N,N-Dimethyl-2-chloroacetoacetamide - CAS 5810-11-7
Catalog: |
BB029929 |
Product Name: |
N,N-Dimethyl-2-chloroacetoacetamide |
CAS: |
5810-11-7 |
Synonyms: |
2-chloro-N,N-dimethyl-3-oxobutanamide |
IUPAC Name: | 2-chloro-N,N-dimethyl-3-oxobutanamide |
Description: | N,N-Dimethyl-2-chloroacetoacetamide (CAS# 5810-11-7) is a useful reagent in the synthesis of antiinflammatory 2-(3-pyridyl)thiazoles and other useful organic compounds. |
Molecular Weight: | 163.60 |
Molecular Formula: | C6H10ClNO2 |
Canonical SMILES: | CC(=O)C(C(=O)N(C)C)Cl |
InChI: | InChI=1S/C6H10ClNO2/c1-4(9)5(7)6(10)8(2)3/h5H,1-3H3 |
InChI Key: | QJACRCAPQIYMIH-UHFFFAOYSA-N |
Boiling Point: | 95 ℃ / 0.7 mmHg (lit.) |
Density: | 1.203 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00042937 |
LogP: | 0.27100 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P362, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021147350-A | Ligand search method, ligand manufacturing method and hardening accelerator | 20200318 |
CN-110730777-A | Chemical compounds as inhibitors of the ATF4 pathway | 20170607 |
JP-6084965-B2 | Polishing composition | 20120316 |
JP-WO2013137192-A1 | Polishing composition | 20120316 |
KR-102022139-B1 | Polishing composition | 20120316 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0400063 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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