4-(Aminomethyl)benzonitrile - CAS 10406-25-4
Catalog: |
BB001316 |
Product Name: |
4-(Aminomethyl)benzonitrile |
CAS: |
10406-25-4 |
Synonyms: |
4-(aminomethyl)benzonitrile; 4-(aminomethyl)benzonitrile |
IUPAC Name: | 4-(aminomethyl)benzonitrile |
Description: | 4-(Aminomethyl)benzonitrile (CAS# 10406-25-4) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C8H8N2 |
Canonical SMILES: | C1=CC(=CC=C1CN)C#N |
InChI: | InChI=1S/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2 |
InChI Key: | LFIWXXXFJFOECP-UHFFFAOYSA-N |
Boiling Point: | 275.4 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD00025578 |
LogP: | 1.71728 |
GHS Hazard Statement: | H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22199912 | 20111201 | Bis[(4-cyano-benz-yl)ammonium] bis-(perchlorate) monohydrate | Acta crystallographica. Section E, Structure reports online |
21877749 | 20111019 | Modular strategy for the construction of radiometalated antibodies for positron emission tomography based on inverse electron demand Diels-Alder click chemistry | Bioconjugate chemistry |
21581252 | 20081108 | N-(4-Cyano-benz-yl)benzamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Amines and Anilines
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