3,5-Diaminobenzonitrile - CAS 33786-93-5
Catalog: |
BB021836 |
Product Name: |
3,5-Diaminobenzonitrile |
CAS: |
33786-93-5 |
Synonyms: |
3,5-diaminobenzonitrile |
IUPAC Name: | 3,5-diaminobenzonitrile |
Description: | 3,5-Diaminobenzonitrile (CAS# 33786-93-5 ) is a useful research chemical. |
Molecular Weight: | 133.15 |
Molecular Formula: | C7H7N3 |
Canonical SMILES: | C1=C(C=C(C=C1N)N)C#N |
InChI: | InChI=1S/C7H7N3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,9-10H2 |
InChI Key: | PWINPIZUWNKSPS-UHFFFAOYSA-N |
Boiling Point: | 405.506 °C at 760 mmHg |
Density: | 1.245 g/cm3 |
MDL: | MFCD08705269 |
LogP: | 1.88508 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113477235-A | Coimide aerogel block adsorbing material with micropores and preparation method thereof | 20210721 |
CN-112113944-A | Preparation of emission spectrum variable carbon dots and application thereof in detection of pH value | 20200930 |
CN-111471049-A | Organic fluorescent molecular cage compound and preparation method thereof | 20200424 |
EP-3750898-A1 | Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound | 20190613 |
EP-3750899-A1 | Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound | 20190613 |
PMID | Publication Date | Title | Journal |
21190134 | 20110801 | Stepwise aromatic nucleophilic substitution in continuous flow. Synthesis of an unsymmetrically substituted 3,5-diamino-benzonitrile library | Molecular diversity |
Complexity: | 148 |
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: | 0.3 |
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