Benzocaine EP Impurity A - CAS 623-04-1
Catalog: |
BB031516 |
Product Name: |
Benzocaine EP Impurity A |
CAS: |
623-04-1 |
Synonyms: |
Benzenemethanol, 4-amino-; 4-Aminobenzenemethanol; Benzyl alcohol, p-amino-; (p-Aminophenyl)methanol; 1-(p-Aminophenyl)methanol;
4-(Hydroxymethyl)aniline; 4-Aminobenzyl alcohol; 4-Hydroxymethylphenylamine; p-Aminobenzyl alcohol |
Related CAS: | 185532-72-3 (Deleted CAS)
|
IUPAC Name: | (4-aminophenyl)methanol |
Description: | One impurity of Tetracaine and Benzocaine. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | C1=CC(=CC=C1CO)N |
InChI: | InChI=1S/C7H9NO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2 |
InChI Key: | AXKGIPZJYUNAIW-UHFFFAOYSA-N |
Boiling Point: | 284.8±15.0°C at 760 mmHg |
Melting Point: | 63-64°C |
Purity: | ≥95% |
Density: | 1.166±0.06 g/cm3 |
Solubility: | Soluble in Chloroform, Methanol (Slightly) |
Appearance: | White to Pale Beige Solid |
Storage: | Store at -20°C |
MDL: | MFCD00014782 |
LogP: | 1.34230 |
GHS Hazard Statement: | H302 (12.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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-113480458-A | Hydrogen sulfide donor, preparation method and application thereof | 20210705 |
CN-113336775-A | Synthesis method of cefotaxime intermediate | 20210621 |
CN-113121464-A | Five-membered heterocyclic substituted biphenyl compound and preparation method and application thereof | 20210421 |
CN-112574200-A | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
CN-112574200-B | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
PMID | Publication Date | Title | Journal |
22590301 | 20120501 | 2-Amino-4-(4-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile | Acta crystallographica. Section E, Structure reports online |
22400063 | 20120101 | Protease-activated drug development | Theranostics |
20449478 | 20100421 | A comparative study of the self-immolation of para-aminobenzylalcohol and hemithioaminal-based linkers in the context of protease-sensitive fluorogenic probes | Organic & biomolecular chemistry |
18642865 | 20080801 | Latent fluorophores based on a self-immolative linker strategy and suitable for protease sensing | Bioconjugate chemistry |
17956629 | 20071023 | Single-walled carbon nanotube interactions with HeLa cells | Journal of nanobiotechnology |
Complexity: | 77 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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