N-Ethyl-N-isopropylaniline - CAS 54813-77-3
Catalog: |
BB028827 |
Product Name: |
N-Ethyl-N-isopropylaniline |
CAS: |
54813-77-3 |
Synonyms: |
N-ethyl-N-propan-2-ylaniline |
IUPAC Name: | N-ethyl-N-propan-2-ylaniline |
Description: | N-Ethyl-N-isopropylaniline (CAS# 54813-77-3 ) is a useful research chemical. |
Molecular Weight: | 163.26 |
Molecular Formula: | C11H17N |
Canonical SMILES: | CCN(C1=CC=CC=C1)C(C)C |
InChI: | InChI=1S/C11H17N/c1-4-12(10(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3 |
InChI Key: | LHGCJZLKSBOOTD-UHFFFAOYSA-N |
Boiling Point: | 223-225 ℃ (lit.) |
Density: | 0.926 g/cm3 |
MDL: | MFCD00274226 |
LogP: | 2.92130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108238969-A | The process units of N- alpha-chloro acetyl-N- isopropyl o ethyl anilines | 20171230 |
EP-3501837-A1 | Thermal amplification of free radical polymerization induced by red to near-infrared irradiation | 20171221 |
WO-2019122248-A1 | Three-component photo-initiating systems for the red and near infrared | 20171221 |
WO-2019122249-A1 | Thermal amplification of free radical polymerization induced by red to near-infrared irradiation | 20171221 |
CN-111491802-A | Thermal amplification of free radical polymerization induced by red to near infrared irradiation | 20171221 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.136099547 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.136099547 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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