4-Butoxyacetanilide - CAS 23563-26-0
Catalog: |
BB018093 |
Product Name: |
4-Butoxyacetanilide |
CAS: |
23563-26-0 |
Synonyms: |
Acetamide, N-(4-butoxyphenyl)-; Acetanilide, 4'-butoxy-; 4'-Butoxyacetanilide; BW 63-90; NSC 106564; Tromal |
IUPAC Name: | N-(4-butoxyphenyl)acetamide |
Molecular Weight: | 207.27 |
Molecular Formula: | C12H17NO2 |
Canonical SMILES: | CCCCOC1=CC=C(C=C1)NC(=O)C |
InChI: | InChI=1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14) |
InChI Key: | JYMFGHFNWSMPBP-UHFFFAOYSA-N |
Boiling Point: | 377.2±25.0°C at 760 mmHg |
Melting Point: | 112°C |
Purity: | ≥95% |
Density: | 1.057±0.06 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00027197 |
LogP: | 2.89690 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2940000-A1 | Process for preparing methyl acetate | 20121225 |
EP-2940000-B1 | Process for preparing methyl acetate | 20121225 |
US-2015298108-A1 | Method for preparing methyl acetate | 20121225 |
US-9440226-B2 | Method for preparing methyl acetate | 20121225 |
EP-2188245-A1 | Nitric oxide releasing derivatives of paracetamol | 20070817 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.125928785 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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