4-Aminobenzylamine - CAS 4403-71-8
Catalog: |
BB025516 |
Product Name: |
4-Aminobenzylamine |
CAS: |
4403-71-8 |
Synonyms: |
4-(aminomethyl)aniline |
IUPAC Name: | 4-(aminomethyl)aniline |
Description: | 4-Aminobenzylamine (CAS# 4403-71-8) is used as a reagent in the synthesis of imidazo[1,2-a]pyrazines as inhibitors of bacterial type IV secretion. It is also used as a reagent in the synthesis oxyoxalamide derivatives as epoxide hydrolase inhibitors. |
Molecular Weight: | 122.17 |
Molecular Formula: | C7H10N2 |
Canonical SMILES: | C1=CC(=CC=C1CN)N |
InChI: | InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2 |
InChI Key: | BFWYZZPDZZGSLJ-UHFFFAOYSA-N |
Boiling Point: | 101 °C0.05 mmHg (lit.) |
Melting Point: | 37 °C |
Flash Point: | >230 °F |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.078 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00075513 |
LogP: | 2.00900 |
Refractive Index: | n20/D 1.61(lit.) |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113185454-A | Anthranilic acid amide compound based on entinostat skeleton and preparation and application thereof | 20210409 |
CN-112430323-A | Transparent polyimide film with excellent performance and preparation method thereof | 20201126 |
CN-112430323-B | Transparent polyimide film with excellent performance and preparation method thereof | 20201126 |
CN-111875515-A | Method for generating amide by catalyzing primary amine with metal complex | 20200904 |
CN-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
PMID | Publication Date | Title | Journal |
21523071 | 20110115 | N,N'-Bis(4-amino-benz-yl)oxalamide | Acta crystallographica. Section E, Structure reports online |
19386499 | 20090515 | Novel immunoconjugates comprised of streptonigrin and 17-amino-geldanamycin attached via a dipeptide-p-aminobenzyl-amine linker system | Bioorganic & medicinal chemistry letters |
18652500 | 20080819 | Modification of carbon electrode with aryl groups having an aliphatic amine by electrochemical reduction of in situ generated diazonium cations | Langmuir : the ACS journal of surfaces and colloids |
11552798 | 20010919 | Orthogonal, convergent syntheses of dendrimers based on melamine with one or two unique surface sites for manipulation | Journal of the American Chemical Society |
Complexity: | 75 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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