4-(Dimethylamino)butyl Chloride Hydrochloride - CAS 69749-71-9
Catalog: |
BB055926 |
Product Name: |
4-(Dimethylamino)butyl Chloride Hydrochloride |
CAS: |
69749-71-9 |
Synonyms: |
4-Chloro-N,N-dimethyl-1-butanamine Hydrochloride; 4-(Dimethylamino)-1-chlorobutane Hydrochloride ; N-(4-Chlorobutyl)-N,N-dimethylamine Hydrochloride |
IUPAC Name: | 4-chloro-N,N-dimethylbutan-1-aminehydrochloride |
Description: | (4- Chlorobutyl) dimethylamine hydrochloride is a chemical reagent used in the synthesis of alkylamino biphenylamides as anticancer agents, acting as HspC90 terminal inhibitors. |
Molecular Weight: | 135.64 + (36.46) |
Molecular Formula: | C6H14ClN·HCl |
Canonical SMILES: | CN(C)CCCCCl.Cl |
InChI: | InChI=1S/C6H14ClN.ClH/c1-8(2)6-4-3-5-7/h3-6H2,1-2H31H |
InChI Key: | AUWCSYMRRXWIOE-UHFFFAOYSA-N |
References: | Garg, G. et al. Bioorg. Med. Chem., 25, 451 (2017). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2015303724-A1 | Quinazoline derivative | 20140811 |
CA-2958741-A1 | Quinazoline derivatives | 20140811 |
EP-3181554-A1 | Quinazoline derivative | 20140811 |
JP-2017526668-A | Quinazoline derivatives | 20140811 |
KR-20170043546-A | Quinazoline Derivative | 20140811 |
RU-2704125-C2 | Quinazoline derivatives | 20140811 |
US-10421754-B2 | Quinazoline derivative | 20140811 |
US-2017226099-A1 | Quinazoline derivative | 20140811 |
US-2019367500-A1 | Quinazoline derivative | 20140811 |
WO-2016023330-A1 | Quinazoline derivative | 20140811 |
Complexity: | 45.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0581549 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0581549 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 3.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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