3-Cyclohexylaniline - CAS 5369-21-1
Catalog: |
BB028326 |
Product Name: |
3-Cyclohexylaniline |
CAS: |
5369-21-1 |
Synonyms: |
3-cyclohexylaniline; 3-cyclohexylaniline |
IUPAC Name: | 3-cyclohexylaniline |
Description: | 3-Cyclohexylaniline (CAS# 5369-21-1) is a useful research chemical. |
Molecular Weight: | 175.27 |
Molecular Formula: | C12H17N |
Canonical SMILES: | C1CCC(CC1)C2=CC(=CC=C2)N |
InChI: | InChI=1S/C12H17N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,13H2 |
InChI Key: | KKHJTHLWDZQCFP-UHFFFAOYSA-N |
LogP: | 3.89770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021122757-A1 | Organic molecules for optoelectronic devices | 20191220 |
EP-3792270-A1 | Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device | 20190911 |
EP-3761385-A1 | Composition and organic light-emitting device including the same | 20190701 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
EP-3750900-A1 | Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound | 20190613 |
Complexity: | 149 |
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: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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