1-Benzylguanidine - CAS 2211-57-6
Catalog: |
BB017388 |
Product Name: |
1-Benzylguanidine |
CAS: |
2211-57-6 |
Synonyms: |
2-(phenylmethyl)guanidine; 2-benzylguanidine |
IUPAC Name: | 2-benzylguanidine |
Description: | 1-Benzylguanidine (CAS# 2211-57-6) is a useful building block and has been used in the synthesis of novel substituted 2-(2-aminopyrimidin-4-yl) pyridine-4-carboxylates as potent inhibitors of JumonjiC domain-containing histone demethylases in human esophageal squamous cell carcinoma cells. |
Molecular Weight: | 149.19 |
Molecular Formula: | C8H11N3 |
Canonical SMILES: | C1=CC=C(C=C1)CN=C(N)N |
InChI: | InChI=1S/C8H11N3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,9,10,11) |
InChI Key: | ABSNGNUGFQIDDO-UHFFFAOYSA-N |
Boiling Point: | 300 °C at 760 mmHg |
Appearance: | Solid |
MDL: | MFCD09864972 |
LogP: | 1.95150 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10961204-B1 | Composition of scalable thyrointegrin antagonists with improved blood brain barrier penetration and retention into brain tumors | 20200429 |
WO-2021119537-A1 | Technologies useful for assessing permeability | 20191211 |
WO-2021035180-A1 | Cleavage of single stranded dna having a modified nucleotide | 20190822 |
CN-110407720-A | A kind of catalysis of iodine thiocarbamide desulfurization preparation replaces the synthetic method of guanidine | 20190820 |
WO-2021005064-A1 | A composition, a kit and use thereof | 20190708 |
PMID | Publication Date | Title | Journal |
22252896 | 20120316 | Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts | ACS chemical biology |
22242541 | 20120207 | Sensitive detection of intracellular sumoylation via SNAP tag-mediated translation and RNA polymerase-based amplification | Analytical chemistry |
21803182 | 20110901 | Radioiodinated metaiodobenzylguanidine (MIBG): radiochemistry, biology, and pharmacology | Seminars in nuclear medicine |
21368743 | 20110701 | Relative contributions of mitochondria and NADPH oxidase to deoxycorticosterone acetate-salt hypertension in mice | Kidney international |
22312475 | 20110101 | Simple preparation of pacific cod trypsin for enzymatic Peptide synthesis | Journal of amino acids |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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