2,3-Diaminopyridine - CAS 452-58-4
Catalog: |
BB025802 |
Product Name: |
2,3-Diaminopyridine |
CAS: |
452-58-4 |
Synonyms: |
pyridine-2,3-diamine |
IUPAC Name: | pyridine-2,3-diamine |
Description: | 2,3-Diaminopyridine (CAS# 452-58-4) is used as a reagent in the synthesis of novel imidazopyridine derivatives which can exhibit cytotoxic activity against MCF-7 human breast adenocarcinoma cell line. 2,3-Diaminopyridine is also used in the preparation of non-camptothecin topoisomerase I inhibitors which exhibit antitumor activity. |
Molecular Weight: | 109.13 |
Molecular Formula: | C5H7N3 |
Canonical SMILES: | C1=CC(=C(N=C1)N)N |
InChI: | InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8) |
InChI Key: | ZZYXNRREDYWPLN-UHFFFAOYSA-N |
Boiling Point: | 311.3 °C at 760 mmHg, 195 °C / 55 mmHg |
Purity: | 95 % |
Density: | 1.251 g/cm3 |
Appearance: | Brown powder |
MDL: | MFCD00006319 |
LogP: | 1.40840 |
GHS Hazard Statement: | H301 (15.56%): Toxic if swallowed [Danger Acute toxicity, oral]; H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (11.11%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.78%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (11.11%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2015185558-A1 | Stimulus-responsive supramolecular glasses | 20140603 |
WO-2015172058-A1 | Left-handed gamma-peptide nucleic acids, methods of synthesis and uses therefor | 20140508 |
WO-2015161014-A1 | Heterocyclic cgrp receptor antagonists | 20140417 |
WO-2015138804-A1 | Novel covalently cross-linked malleable polymers and methods of use | 20140312 |
WO-2015113681-A1 | Polycarboxylic-acid-based additives for fuels and lubricants | 20140129 |
PMID | Publication Date | Title | Journal |
23020186 | 20121015 | Syntheses and structures of closely related copper(I) complexes of tridentate (2-pyridylmethyl)imine and (2-pyridylmethyl)amine ligands and their use in mediating atom transfer radical polymerizations | Inorganic chemistry |
23089354 | 20120901 | Simultaneous determination of 13 components in oxidative hair dyes by high-performance chromatography using an ion-pair reagent | Journal of cosmetic science |
22606085 | 20120401 | N-(2-Amino-pyridin-3-yl)-4-methyl-N-(4-methyl-phenyl-sulfon-yl)benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
22372713 | 20120329 | pH-dependent complexation of histamine H1 receptor antagonists and human serum albumin studied by UV resonance Raman spectroscopy | The journal of physical chemistry. B |
22347022 | 20120201 | Bis(2,3-diamino-pyridinium) phthalate dihydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 109.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 109.063997236 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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