4-(Dimethylamino)benzonitrile - CAS 1197-19-9
Catalog: |
BB004619 |
Product Name: |
4-(Dimethylamino)benzonitrile |
CAS: |
1197-19-9 |
Synonyms: |
4-(dimethylamino)benzonitrile |
IUPAC Name: | 4-(dimethylamino)benzonitrile |
Description: | 4-(Dimethylamino)benzonitrile (CAS# 1197-19-9) is used in predicting the carcinogenicity of aromatic amine derivative in UK EMS collaborative study. |
Molecular Weight: | 146.19 |
Molecular Formula: | C9H10N2 |
Canonical SMILES: | CN(C)C1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 |
InChI Key: | JYMNQRQQBJIMCV-UHFFFAOYSA-N |
Boiling Point: | 318-318 ℃ |
Melting Point: | 70-76 ℃ |
Purity: | 95 % |
Density: | 1.04 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Light brown crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00001815 |
LogP: | 1.62428 |
Vapor Pressure: | 0.02 [mmHg] |
GHS Hazard Statement: | H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778125-A | Aryl phenol compound and synthesis method and application thereof | 20210201 |
WO-2021198416-A1 | Membranes and their uses | 20200402 |
WO-2021198419-A1 | Membranes and their uses | 20200402 |
WO-2021198430-A1 | Bipolar membrane | 20200402 |
WO-2021198432-A1 | Membrane stacks and their uses | 20200402 |
PMID | Publication Date | Title | Journal |
22536751 | 20120906 | Multimode charge-transfer dynamics of 4-(dimethylamino)benzonitrile probed with ultraviolet femtosecond stimulated Raman spectroscopy | The journal of physical chemistry. B |
21800869 | 20111013 | Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline | The journal of physical chemistry. A |
21769358 | 20110907 | Intramolecular charge transfer and dual fluorescence of 4-(dimethylamino)benzonitrile: ultrafast branching followed by a two-fold decay mechanism | Physical chemistry chemical physics : PCCP |
21399772 | 20110421 | The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile | Physical chemistry chemical physics : PCCP |
21046441 | 20110301 | The effect of the complexation of p-N,N-dimethylaminobenzoic acid and p-N,N-dimethylaminobenzonitrile with LaCl3 on spectral-luminescent parameters of fluorophores | Journal of fluorescence |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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