1-(2-Chloroethyl)piperidine hydrochloride - CAS 2008-75-5
Catalog: |
BB015644 |
Product Name: |
1-(2-Chloroethyl)piperidine hydrochloride |
CAS: |
2008-75-5 |
Synonyms: |
1-(2-chloroethyl)piperidine;hydrochloride |
IUPAC Name: | 1-(2-chloroethyl)piperidine;hydrochloride |
Description: | An impurity of Raloxifene. Raloxifene is selective estrogen receptor modulator. It can be used in the prevention of osteoporosis in postmenopausal women and to reduce the risk of invasive breast cancer in postmenopausal women with osteoporosis and in postmenopausal women at high risk for invasive breast. |
Molecular Weight: | 184.11 |
Molecular Formula: | C7H14ClN · HCl |
Canonical SMILES: | C1CCN(CC1)CCCl.Cl |
InChI: | InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H |
InChI Key: | VFLQQZCRHPIGJU-UHFFFAOYSA-N |
Boiling Point: | 190.3 ℃ at 760 mmHg |
Purity: | 98 % |
MDL: | MFCD00012837 |
LogP: | 2.45100 |
GHS Hazard Statement: | H300 (98.72%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P260, P264, P270, P280, P281, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
24378967 | 20131227 | Synthesis of novel 2-(substituted amino)alkylthiopyrimidin-4(3H)-ones as potential antimicrobial agents | Molecules (Basel, Switzerland) |
15351394 | 20041001 | Synthesis, antimicrobial, and anti-HIV-1 activity of certain 5-(1-adamantyl)-2-substituted thio-1,3,4-oxadiazoles and 5-(1-adamantyl)-3-substituted aminomethyl-1,3,4-oxadiazoline-2-thiones | Bioorganic & medicinal chemistry |
Complexity: | 69.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0581549 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0581549 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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