4-(Benzyloxy)aniline - CAS 6373-46-2
Catalog: |
BB032252 |
Product Name: |
4-(Benzyloxy)aniline |
CAS: |
6373-46-2 |
Synonyms: |
4-phenylmethoxyaniline; 4-phenylmethoxyaniline |
IUPAC Name: | 4-phenylmethoxyaniline |
Description: | 4-(Benzyloxy)aniline (CAS# 6373-46-2) is an intermediate in the synthesis of Acetaminophen-d3, the labeled analogue of Acetaminophen (A161220), an analgesic; antipyretic (1,2). It can be used to prepare N-(4-phenoxyphenyl)benzenesulfonamide derivatives that may be antagonists for the nonsteroidal progesterone receptor (3). |
Molecular Weight: | 199.25 |
Molecular Formula: | C13H13NO |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=C(C=C2)N |
InChI: | InChI=1S/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2 |
InChI Key: | FIIDVVUUWRJXLF-UHFFFAOYSA-N |
Boiling Point: | 357.7 °C at 760 mmHg |
Density: | 1.129 g/cm3 |
MDL: | MFCD00025318 |
LogP: | 3.42900 |
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-113336704-A | Danshensu derivative and preparation method and medical application thereof | 20210611 |
CN-113354591-A | Synthesis of alkylamino quinazoline and its antineoplastic activity | 20210609 |
CN-112625025-A | Pyridyl substituted quinoline derivative and its prepn and use | 20201231 |
CN-112694439-A | Phenyl acrylamide quinoline derivative and preparation method and application thereof | 20201231 |
CN-112759583-A | Quinoline derivative containing furyl and preparation method and application thereof | 20201231 |
PMID | Publication Date | Title | Journal |
21134756 | 20110101 | Inhibition of monoamine oxidase by selected C5- and C6-substituted isatin analogues | Bioorganic & medicinal chemistry |
21581291 | 20081113 | Ethyl 2-[4-(benzyloxy)anilino]-4-oxo-4,5-dihydro-furan-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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Amines and Anilines
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