4-Amino-3-methylphenol - CAS 2835-99-6
Catalog: |
BB019829 |
Product Name: |
4-Amino-3-methylphenol |
CAS: |
2835-99-6 |
Synonyms: |
4-amino-3-methylphenol |
IUPAC Name: | 4-amino-3-methylphenol |
Description: | 4-Amino-3-methylphenol (CAS# 2835-99-6) is a useful reagent for the synthesis of piperidine (piperazine)-amide substituted derivatives as multi-target antipsychotics. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC1=C(C=CC(=C1)O)N |
InChI: | InChI=1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3 |
InChI Key: | QGNGOGOOPUYKMC-UHFFFAOYSA-N |
Boiling Point: | 286.7 ℃ at 760 mmHg |
Melting Point: | 176-180 ℃ |
Purity: | 98 % |
Density: | 1.157 g/cm3 |
Appearance: | Light gray powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007871 |
LogP: | 1.86400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21999405 | 20120101 | In vitro suppression of drug-induced methaemoglobin formation by Intralipid(®) in whole human blood: observations relevant to the 'lipid sink theory' | Anaesthesia |
19719087 | 20091005 | From 0D dimer to 2D network-supramolecular assembly of organic derivatized polyoxometalates with remote hydroxyl via hydrogen bonding | Inorganic chemistry |
16076129 | 20050810 | Biotransformation of 3-methyl-4-nitrophenol, a main product of the insecticide fenitrothion, by Aspergillus niger | Journal of agricultural and food chemistry |
15895107 | 20050801 | Inhibition of fatty acid amide hydrolase and monoacylglycerol lipase by the anandamide uptake inhibitor VDM11: evidence that VDM11 acts as an FAAH substrate | British journal of pharmacology |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 94.9 |
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: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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