1-(2-Chloroethyl)pyrrolidine hydrochloride - CAS 7250-67-1
Catalog: |
BB034634 |
Product Name: |
1-(2-Chloroethyl)pyrrolidine hydrochloride |
CAS: |
7250-67-1 |
Synonyms: |
Pyrrolidine, 1-(2-chloroethyl)-, hydrochloride (1:1); Pyrrolidine, 1-(2-chloroethyl)-, hydrochloride; 1-(2-Chloroethyl)pyrrolidin-1-ium chloride; 1-(2-Chloroethyl)pyrrolidine monohydrochloride; 1-(2-Chloroethyl)pyrrolidinium chloride; 2-(1-Pyrrolidino)ethyl chloride hydrochloride; 2-(1-Pyrrolidinyl)ethyl chloride hydrochloride; 2-Pyrrolidinoethyl chloride hydrochloride; 2-Pyrrolidinyl-1-chloroethane hydrochloride; N-(2-Chloroethyl)pyrrolidine hydrochloride; N-(2-Chloroethyl)pyrrolidinium chloride; N-(β-Chloroethyl)pyrrolidine hydrochloride; Pyrrolidinoethyl chloride hydrochloride; β-Pyrrolidinoethyl chloride hydrochloride |
Related CAS: | 5050-41-9 (free base)
|
IUPAC Name: | 1-(2-chloroethyl)pyrrolidine;hydrochloride |
Description: | 1-(2-Chloroethyl)pyrrolidine hydrochloride (CAS# 7250-67-1) is a haloalkyl substituted pyrrolidine used in the preparation of various pharmaceutical compound such as the estrogen receptor antagonist Nafoxidine (N212800) and its analogues. |
Molecular Weight: | 170.08 |
Molecular Formula: | C6H12ClN.HCl |
Canonical SMILES: | C1CCN(C1)CCCl.Cl |
InChI: | InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H |
InChI Key: | FSNGFFWICFYWQC-UHFFFAOYSA-N |
Melting Point: | 173.5-174°C |
Purity: | 95% |
Solubility: | Soluble in Chloroform (Slightly), Water (Slightly) |
Appearance: | Off-white Solid |
Storage: | Store at -20°C |
MDL: | MFCD00012718 |
LogP: | 2.06090 |
GHS Hazard Statement: | H302 (14%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112028888-A | Compound and preparation method and application thereof | 20200911 |
CN-112028888-B | Compound and preparation method and application thereof | 20200911 |
CN-111646978-A | N2-substituted alkoxy aromatic ring-2-aminopyrimidine derivatives and application thereof | 20200611 |
WO-2021114313-A1 | Ion channel antagonists/blockers and uses thereof | 20191214 |
JP-2021063035-A | BRAP2 action enhancer | 20191015 |
PMID | Publication Date | Title | Journal |
24378967 | 20131227 | Synthesis of novel 2-(substituted amino)alkylthiopyrimidin-4(3H)-ones as potential antimicrobial agents | Molecules (Basel, Switzerland) |
Complexity: | 59.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0425048 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0425048 |
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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Pyrrolidines
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