1,2-Bis(4-chlorophenyl)ethylenediamine - CAS 86212-34-2
Catalog: |
BB037855 |
Product Name: |
1,2-Bis(4-chlorophenyl)ethylenediamine |
CAS: |
86212-34-2 |
Synonyms: |
1,2-bis(4-chlorophenyl)ethane-1,2-diamine; 1,2-bis(4-chlorophenyl)ethane-1,2-diamine |
IUPAC Name: | 1,2-bis(4-chlorophenyl)ethane-1,2-diamine |
Description: | 1,2-Bis(4-chlorophenyl)ethylenediamine (CAS# 86212-34-2) is used as a reactant in the synthesis of sinomenine derivatives exhibiting potent TNF-α inhibitory activity. |
Molecular Weight: | 281.18 |
Molecular Formula: | C14H14Cl2N2 |
Canonical SMILES: | C1=CC(=CC=C1C(C(C2=CC=C(C=C2)Cl)N)N)Cl |
InChI: | InChI=1S/C14H14Cl2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2 |
InChI Key: | HHPPUZSHKRJDIW-UHFFFAOYSA-N |
MDL: | MFCD05150371 |
LogP: | 5.09380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3033850-A1 | Synthesis method for producing enantiomerically pure cis-imidazoline compounds for pharmaceutical use | 20170616 |
CN-110088081-A | Synthetic method of the preparation for the pure cis--imidazolinium compounds of mapping of medicinal usage | 20170616 |
EP-3512831-A1 | Synthesis method for producing enantiomerically pure cis-imidazoline compounds for pharmaceutical use | 20170616 |
JP-2019531304-A | Synthetic methods for producing enantiomerically pure cis-imidazoline compounds for pharmaceutical use | 20170616 |
KR-20200035944-A | Synthetic method for preparing enantiomerically pure cis-imidazoline compounds for pharmaceutical use | 20170616 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.0534038 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.0534038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Amines and Anilines
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