4-Acetamidobenzaldehyde - CAS 122-85-0
Catalog: |
BB005536 |
Product Name: |
4-Acetamidobenzaldehyde |
CAS: |
122-85-0 |
Synonyms: |
N-(4-formylphenyl)acetamide |
IUPAC Name: | N-(4-formylphenyl)acetamide |
Description: | 4-Acetamidobenzaldehyde (CAS# 122-85-0) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | CC(=O)NC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12) |
InChI Key: | SKLUWKYNZNXSLX-UHFFFAOYSA-N |
Boiling Point: | 384.3 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
Appearance: | Light yellow crystalline powder |
MDL: | MFCD00003380 |
LogP: | 1.53050 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321625-A | Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound | 20210606 |
CN-112285257-A | Detection method for adulterated plant cream in edible cream | 20201126 |
CA-3097881-A1 | Leuco colorants as bluing agents in laundry care composition | 20201103 |
CN-111662180-A | Preparation method of p-nitrobenzaldehyde | 20200717 |
CN-111606823-A | Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder | 20200624 |
PMID | Publication Date | Title | Journal |
22904969 | 20120801 | Diethyl 4-(4-acetamido-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
15917896 | 20050607 | Synthesis and characterization of a novel functionalized azanonaborane cluster for boron neutron capture therapy | Organic & biomolecular chemistry |
15812551 | 20050425 | The development and characterisation of porphyrin isothiocyanate-monoclonal antibody conjugates for photoimmunotherapy | British journal of cancer |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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