4-(Dimethylamino)benzylamine dihydrochloride - CAS 34403-52-6
Catalog: |
BB022118 |
Product Name: |
4-(Dimethylamino)benzylamine dihydrochloride |
CAS: |
34403-52-6 |
Synonyms: |
4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride |
IUPAC Name: | 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride |
Description: | 4-(Dimethylamino)benzylamine dihydrochloride (CAS# 34403-52-6) is used in the preparation of N-benzyl and N-aryl furylpurines as inhibitors of mycobacteria for potential use as antituberculosis agents. |
Molecular Weight: | 223.14 |
Molecular Formula: | C9H16Cl2N2 |
Canonical SMILES: | CN(C)C1=CC=C(C=C1)CN.Cl.Cl |
InChI: | InChI=1S/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H,7,10H2,1-2H3;2*1H |
InChI Key: | NRZQHDOWSPJUQW-UHFFFAOYSA-N |
Boiling Point: | 260 °C at 760 mmHg |
Melting Point: | 220-224 °C (dec.)(lit.) |
Purity: | ≥ 95 % |
Density: | 1.019 g/cm3 |
MDL: | MFCD00012862 |
LogP: | 3.51560 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020131431-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
WO-2020086309-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
WO-2019040106-A2 | COMPOUNDS, RELATED SALTS AND METHODS FOR THE TREATMENT OF DISEASES | 20170821 |
AU-2017383069-A1 | Compounds for the treatment of Bovine or Swine Respiratory disease | 20161223 |
BR-112019012861-A2 | compounds for the treatment of bovine or porcine respiratory disease | 20161223 |
PMID | Publication Date | Title | Journal |
18459720 | 20080602 | Easy access to bio-inspired osmium(II) complexes through electrophilic intramolecular C(sp2)-H bond cyclometalation | Inorganic chemistry |
17147984 | 20070501 | Quantification of valproic acid and its metabolite 2-propyl-4-pentenoic acid in human plasma using HPLC-MS/MS | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
16842785 | 20060807 | Properties of copper-free pig kidney amine oxidase: role of topa quinone | FEBS letters |
6814441 | 19820815 | Inhibition of rabbit liver monoamine oxidase by nitro aromatic compounds | Biochemical pharmacology |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0690539 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0690539 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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