Benzocaine EP Impurity F - CAS 1877-77-6
Catalog: |
BB014446 |
Product Name: |
Benzocaine EP Impurity F |
CAS: |
1877-77-6 |
Synonyms: |
3-Aminobenzyl alcohol |
IUPAC Name: | (3-aminophenyl)methanol |
Description: | One impurity of Tetracaine and Benzocaine. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | C1=CC(=CC(=C1)N)CO |
InChI: | InChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2 |
InChI Key: | OJZQOQNSUZLSMV-UHFFFAOYSA-N |
Boiling Point: | 290.7 ℃ at 760 mmHg |
Melting Point: | 92-95 ℃ (lit.) |
Purity: | > 95 % |
Density: | 1.166 g/cm3 |
Appearance: | White to light brown solid |
MDL: | MFCD00007817 |
LogP: | 1.34230 |
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 |
Publication Number | Title | Priority Date |
CN-113121464-A | Five-membered heterocyclic substituted biphenyl compound and preparation method and application thereof | 20210421 |
JP-2021063999-A | Colored photosensitive resin composition | 20210104 |
CN-112789326-A | High-temperature energy storage hybrid polyetherimide dielectric film and preparation method and application thereof | 20201218 |
CN-112574081-A | Process for preparing arylthioamide compounds | 20201212 |
CN-111944140-A | Polymeric prodrug micelle with reduction responsiveness and preparation method and application thereof | 20200828 |
PMID | Publication Date | Title | Journal |
22091113 | 20110801 | 1-[3-(Hy-droxy-meth-yl)phen-yl]-3-phenyl-urea | Acta crystallographica. Section E, Structure reports online |
22091136 | 20110801 | (3-Amino-phen-yl)methanol | Acta crystallographica. Section E, Structure reports online |
21753931 | 20110401 | Bis(3-hy-droxy-methyl-anilinium) hexa-chloridostannate(IV) | Acta crystallographica. Section E, Structure reports online |
17512242 | 20080101 | Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree-Fock and density functional method | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
12963446 | 20030901 | Vibrational spectra, assignments and normal coordinate analysis of 3-aminobenzyl alcohol | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 85 |
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: | -0.1 |
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