N-Cyclohexylaniline - CAS 1821-36-9
Catalog: |
BB013874 |
Product Name: |
N-Cyclohexylaniline |
CAS: |
1821-36-9 |
Synonyms: |
N-cyclohexylaniline |
IUPAC Name: | N-cyclohexylaniline |
Description: | N-Cyclohexylaniline (CAS# 1821-36-9) is a useful research chemical compound. |
Molecular Weight: | 175.27 |
Molecular Formula: | C12H17N |
Canonical SMILES: | C1CCC(CC1)NC2=CC=CC=C2 |
InChI: | InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2 |
InChI Key: | TXTHKGMZDDTZFD-UHFFFAOYSA-N |
Boiling Point: | 191-192 °C (73 mmHg) |
Density: | 0.996 g/mL at 20°C(lit.) |
MDL: | MFCD00014284 |
LogP: | 3.50420 |
GHS Hazard Statement: | H302 (54.43%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149846-A | Secondary hydrogenation process and device for byproducts in cyclohexylamine production process | 20210531 |
CN-112999231-A | Application of medicine in reducing side effect of anesthetic | 20210301 |
CN-112898170-A | Preparation method of acid diffusion inhibitor and photoresist composition | 20210122 |
CN-112409194-A | Compound, organic electroluminescent device and display device | 20201126 |
CN-111848412-A | Method for efficiently realizing N-alkylation reaction by using cycloiridium catalyst | 20200807 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
15638595 | 20050108 | Static and dynamic thermal quantities near the consolute point of the binary liquid mixture aniline-cyclohexane studied with a photopyroelectric technique and adiabatic scanning calorimetry | The Journal of chemical physics |
12862481 | 20030723 | Anomeric effects versus steric hindrance to ionic solvation in protonated glucosylanilines and cyclohexylanilines | Journal of the American Chemical Society |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.136099547 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.136099547 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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Amines and Anilines
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