3-Nitrobenzamidine hydrochloride - CAS 56406-50-9
Catalog: |
BB029351 |
Product Name: |
3-Nitrobenzamidine hydrochloride |
CAS: |
56406-50-9 |
Synonyms: |
3-nitrobenzenecarboximidamide;hydrochloride |
IUPAC Name: | 3-nitrobenzenecarboximidamide;hydrochloride |
Description: | 3-Nitrobenzamidine hydrochloride (CAS# 56406-50-9) is a useful research chemical. |
Molecular Weight: | 201.61 |
Molecular Formula: | C7H8ClN3O2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C(=N)N.Cl |
InChI: | InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H |
InChI Key: | DKNQVJWYIUJWNC-UHFFFAOYSA-N |
Boiling Point: | 301.7 °C at 760 mmHg |
Melting Point: | 245-248 °C (lit.) |
Purity: | 95 % |
Density: | 1.42 g/cm3 |
Appearance: | Light yellow microcrystalline powder |
MDL: | MFCD00012844 |
LogP: | 3.00410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
WO-2008009963-A2 | Pyrimidine derivatives as modulators of parathyroid hormone receptors | 20060721 |
US-2007004741-A1 | N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase | 20050630 |
US-7541359-B2 | N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase | 20050630 |
WO-2007005510-A1 | N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase | 20050630 |
EP-1768978-A1 | 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer | 20040709 |
PMID | Publication Date | Title | Journal |
6771029 | 19800101 | Structure-function dependence and allopurinol inhibition of radiosensitizer/nitroreductase interaction: approaches to improving therapeutic ratios | Cancer clinical trials |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0305042 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0305042 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 95.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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