4-(Methoxymethyl)aniline - CAS 80936-82-9
Catalog: |
BB036587 |
Product Name: |
4-(Methoxymethyl)aniline |
CAS: |
80936-82-9 |
Synonyms: |
4-(methoxymethyl)aniline; 4-(methoxymethyl)aniline |
IUPAC Name: | 4-(methoxymethyl)aniline |
Description: | 4-(Methoxymethyl)aniline (CAS# 80936-82-9) is a useful research chemical. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | COCC1=CC=C(C=C1)N |
InChI: | InChI=1S/C8H11NO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3 |
InChI Key: | URSADVDNUKPSIK-UHFFFAOYSA-N |
Boiling Point: | 224.917 °C at 760 mmHg |
Density: | 1.048 g/cm3 |
LogP: | 1.99640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113219102-A | Method for measuring content of toxic substances and metabolites thereof in sewage | 20210525 |
WO-2021136763-A1 | Isoquinoline derivatives for use in treating glut1 deficiency syndrome | 20191230 |
WO-2021005222-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20190711 |
WO-2020037009-A1 | Conjugates and methods of using the same | 20180813 |
EP-3836971-A1 | Conjugates and methods of using the same | 20180813 |
PMID | Publication Date | Title | Journal |
21522237 | 20110202 | Tetra-kis[(4-meth-oxy-carbon-yl)anilinium] hexa-chloridostannate(IV) dichloride | Acta crystallographica. Section E, Structure reports online |
Complexity: | 87.3 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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Amines and Anilines
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