4-Aminobenzyl cyanide - CAS 3544-25-0
Catalog: |
BB022639 |
Product Name: |
4-Aminobenzyl cyanide |
CAS: |
3544-25-0 |
Synonyms: |
2-(4-aminophenyl)acetonitrile |
IUPAC Name: | 2-(4-aminophenyl)acetonitrile |
Description: | 4-Aminobenzyl Cyanide can be used to prevent or treat influenza. |
Molecular Weight: | 132.16 |
Molecular Formula: | C8H8N2 |
Canonical SMILES: | C1=CC(=CC=C1CC#N)N |
InChI: | InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2 |
InChI Key: | YCWRFIYBUQBHJI-UHFFFAOYSA-N |
Boiling Point: | 312 ℃ |
Melting Point: | 42-46 ℃ |
Purity: | 95 % |
Density: | 1.12 g/cm3 |
Appearance: | Yellow to brown crystalline powder, crystals |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007912 |
LogP: | 1.91608 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778125-A | Aryl phenol compound and synthesis method and application thereof | 20210201 |
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PMID | Publication Date | Title | Journal |
22199792 | 20111201 | 4-Chloro-anilinium 4-methyl-benzene-sulfonate | Acta crystallographica. Section E, Structure reports online |
22219956 | 20111101 | 3-Fluoro-anilinium 4-methyl-benzene-sulfonate | Acta crystallographica. Section E, Structure reports online |
22219957 | 20111101 | 3-Chloro-anilinium 4-methyl-benzene-sulfonate | Acta crystallographica. Section E, Structure reports online |
22107233 | 20110930 | 4-(cyanomethyl)anilinium perchlorate: a new displacive-type molecular ferroelectric | Physical review letters |
21587801 | 20100605 | 4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Related Functional Groups
Amines and Anilines
Nitrogen Compounds
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