2-(4-Chlorophenyl)pyrrolidine - CAS 38944-14-8
Catalog: |
BB023804 |
Product Name: |
2-(4-Chlorophenyl)pyrrolidine |
CAS: |
38944-14-8 |
Synonyms: |
2-(4-chlorophenyl)pyrrolidine; 2-(4-chlorophenyl)pyrrolidine |
IUPAC Name: | 2-(4-chlorophenyl)pyrrolidine |
Description: | 2-(4-Chlorophenyl)pyrrolidine (CAS# 38944-14-8) is a useful research chemical. |
Molecular Weight: | 181.66 |
Molecular Formula: | C10H12ClN |
Canonical SMILES: | C1CC(NC1)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2 |
InChI Key: | CIHHGGKKRPPWSU-UHFFFAOYSA-N |
Boiling Point: | 269.4 °C at 760 mmHg |
Density: | 1.129 g/cm3 |
Appearance: | Pale-yellow to yellow-brown sticky oil to solid |
LogP: | 3.09330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
JP-2021098692-A | Compounds that are active against nuclear receptors | 20191220 |
US-2021188828-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124277-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021055326-A1 | Azole-fused pyridazin-3(2h)-one derivatives | 20190916 |
WO-2020190119-A1 | Heteroaryl derivative, method for producing same, and pharmaceutical composition comprising same as effective component | 20190319 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0658271 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Pyrrolidines
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