3-[(Methylamino)methyl]phenol - CAS 123926-62-5
Catalog: |
BB005759 |
Product Name: |
3-[(Methylamino)methyl]phenol |
CAS: |
123926-62-5 |
Synonyms: |
3-(methylaminomethyl)phenol; 3-(methylaminomethyl)phenol |
IUPAC Name: | 3-(methylaminomethyl)phenol |
Description: | 3-[(Methylamino)methyl]phenol (CAS# 123926-62-5) is used to prepare arylbenzofuran-based molecules as multipotent Alzheimer's disease modifying agents. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | CNCC1=CC(=CC=C1)O |
InChI: | InChI=1S/C8H11NO/c1-9-6-7-3-2-4-8(10)5-7/h2-5,9-10H,6H2,1H3 |
InChI Key: | JVUOJMODQRWSRP-UHFFFAOYSA-N |
Boiling Point: | 244.498 °C at 760 mmHg |
Density: | 1.059 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD09733571 |
LogP: | 1.50250 |
GHS Hazard Statement: | H302 (100%): 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-112552274-A | Xanthone compound and preparation method and application thereof | 20201208 |
CN-110386945-A | A kind of big ring class kinase inhibitor | 20180418 |
CN-107660205-A | Heterocyclic compound as LSD1 inhibitor | 20150403 |
EP-2907514-A1 | Purine derivative compounds for medical use | 20140217 |
EP-3016951-B1 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | 20130702 |
Complexity: | 95.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Amines and Anilines
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