3-Chloro-N,N-dimethyl-1-propanamine - CAS 109-54-6
Catalog: |
BB002506 |
Product Name: |
3-Chloro-N,N-dimethyl-1-propanamine |
CAS: |
109-54-6 |
Synonyms: |
3-chloro-N,N-dimethyl-1-propanamine; 3-chloro-N,N-dimethylpropan-1-amine |
IUPAC Name: | 3-chloro-N,N-dimethylpropan-1-amine |
Description: | 3-Chloro-N,N-dimethyl-1-propanamine (CAS# 109-54-6) is a genotoxic impurity in drug samples of rizatriptan benzoate. Also, it is the side chain of Chlorpromazine and Amitriptyline. |
Molecular Weight: | 121.61 |
Molecular Formula: | C5H12ClN |
Canonical SMILES: | CN(C)CCCCl |
InChI: | InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3 |
InChI Key: | NYYRRBOMNHUCLB-UHFFFAOYSA-N |
Boiling Point: | 130.7 °C at 760 mmHg |
Density: | 0.937 g/cm3 |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
LogP: | 1.17690 |
GHS Hazard Statement: | H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P337+P313, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
19757818 | 20091016 | Synthesis of surfactants based on pentaerythritol. I. Cationic and zwitterionic gemini surfactants | The Journal of organic chemistry |
18406150 | 20080515 | Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity | Bioorganic & medicinal chemistry |
17703240 | 20070701 | NTP toxicity studies of dimethylaminopropyl chloride, hydrochloride (CAS No. 5407-04-5) administered by Gavage to F344/N rats and B6C3F1 mice | Toxicity report series |
14521413 | 20031009 | Novel derivatives of benzo[b]thieno[2,3-c]quinolones: synthesis, photochemical synthesis, and antitumor evaluation | Journal of medicinal chemistry |
Complexity: | 37.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.0658271 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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