1,3-Di-o-tolylguanidine - CAS 97-39-2
Catalog: |
BB042046 |
Product Name: |
1,3-Di-o-tolylguanidine |
CAS: |
97-39-2 |
Synonyms: |
1,2-bis(2-methylphenyl)guanidine |
Application: |
Anticonvulsants |
IUPAC Name: | 1,2-bis(2-methylphenyl)guanidine |
Description: | DTG has been found to be a σ-receptor agonist and is useful in studies of its interaction with dopamine drug. |
Molecular Weight: | 239.32 |
Molecular Formula: | C15H17N3 |
Canonical SMILES: | CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N |
InChI: | InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18) |
InChI Key: | OPNUROKCUBTKLF-UHFFFAOYSA-N |
Boiling Point: | 396.1 °C at 760 mmHg |
Melting Point: | 179 °C |
Purity: | ≥ 98 % by HPLC |
Density: | 1.08 g/cm3 |
Solubility: | >35.9 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | White solid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00008513 |
LogP: | 4.00790 |
GHS Hazard Statement: | H301 (98.09%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113337081-A | Composite flame retardant and preparation method and application thereof | 20210628 |
CN-113320326-A | Manufacturing process of artificial decorative plate with good waterproof effect | 20210527 |
CN-113150409-A | Rubber composition for all-steel radial tire body and preparation method thereof | 20210430 |
CN-113512239-A | Rubber composition for tire side wall and preparation method thereof | 20210430 |
KR-102236874-B1 | Steel Cord plated with alloy containing Cu and Al, Tire Belt comprising the steel cord and Tire comprising the tire belt | 20210318 |
PMID | Publication Date | Title | Journal |
22831799 | 20120815 | Syntheses and in vitro evaluation of decalinvesamicol analogues as potential imaging probes for vesicular acetylcholine transporter (VAChT) | Bioorganic & medicinal chemistry |
22192304 | 20120801 | Characterization of ligand binding to the σ(1) receptor in a human tumor cell line (RPMI 8226) and establishment of a competitive receptor binding assay | Assay and drug development technologies |
22578786 | 20120701 | Microwave assisted synthesis of spirocyclic pyrrolidines -σ1 receptor ligands with modified benzene-N-distance | European journal of medicinal chemistry |
22515405 | 20120614 | Thiophene bioisosteres of spirocyclic σ receptor ligands: relationships between substitution pattern and σ receptor affinity | Journal of medicinal chemistry |
23028794 | 20120101 | Effects of the sigma-1 receptor agonist 1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)-piperazine dihydro-chloride on inflammation after stroke | PloS one |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.142247555 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.142247555 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS