3,4-Diaminobenzonitrile - CAS 17626-40-3
Catalog: |
BB013207 |
Product Name: |
3,4-Diaminobenzonitrile |
CAS: |
17626-40-3 |
Synonyms: |
3,4-diaminobenzonitrile |
IUPAC Name: | 3,4-diaminobenzonitrile |
Description: | A synthetic intermediate. |
Molecular Weight: | 133.15 |
Molecular Formula: | C7H7N3 |
Canonical SMILES: | C1=CC(=C(C=C1C#N)N)N |
InChI: | InChI=1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2 |
InChI Key: | VWLLPPSBBHDXHK-UHFFFAOYSA-N |
Boiling Point: | 368.7 ℃ at 760 mmHg |
Melting Point: | 144-145 ℃ |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00723901 |
LogP: | 1.88508 |
GHS Hazard Statement: | H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112106780-A | Application of harmine analog in prevention and treatment of agricultural plant diseases | 20201030 |
CN-111909096-A | Synthesis method of benzimidazole compound mediated by ammonium acetate | 20200805 |
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PMID | Publication Date | Title | Journal |
16099661 | 20051215 | Dicationic near-linear biphenyl benzimidazole derivatives as DNA-targeted antiprotozoal agents | Bioorganic & medicinal chemistry |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.063997236 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 75.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Amines and Anilines
Nitrogen Compounds
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