N-Methyl-2,4-dichlorobenzylamine - CAS 5013-77-4
Catalog: |
BB026930 |
Product Name: |
N-Methyl-2,4-dichlorobenzylamine |
CAS: |
5013-77-4 |
Synonyms: |
1-(2,4-dichlorophenyl)-N-methylmethanamine; 1-(2,4-dichlorophenyl)-N-methylmethanamine |
IUPAC Name: | 1-(2,4-dichlorophenyl)-N-methylmethanamine |
Description: | N-Methyl-2,4-dichlorobenzylamine (CAS# 5013-77-4) is a precursor used in the synthesis of 1-benzyloxypyrazin-2(1H)-one derivatives. |
Molecular Weight: | 190.07 |
Molecular Formula: | C8H9Cl2N |
Canonical SMILES: | CNCC1=C(C=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C8H9Cl2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3 |
InChI Key: | GUJXWKXDISDARD-UHFFFAOYSA-N |
Boiling Point: | 240.6 °C at 760 mmHg |
Density: | 1.226 g/cm3 |
Appearance: | Low melting solid |
MDL: | MFCD00045185 |
LogP: | 3.10370 |
GHS Hazard Statement: | H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2018129556-A1 | Compounds and methods for inhibiting nhe-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20170109 |
EP-3016951-B1 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | 20130702 |
US-2016152628-A1 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | 20130702 |
WO-2014042939-A1 | Ketone linked benzothiazole inhibitors of endothelial lipase | 20120911 |
EP-2794565-B1 | Hepatitis b antiviral agents | 20111221 |
PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0112047 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0112047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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