4-Chloro-2-propyl-6-quinolinecarbonitrile - CAS 930570-37-9
Catalog: |
BB040756 |
Product Name: |
4-Chloro-2-propyl-6-quinolinecarbonitrile |
CAS: |
930570-37-9 |
Synonyms: |
4-chloro-2-propylquinoline-6-carbonitrile |
IUPAC Name: | 4-chloro-2-propylquinoline-6-carbonitrile |
Description: | 4-Chloro-2-propyl-6-quinolinecarbonitrile (CAS# 930570-37-9) is a useful research chemical. |
Molecular Weight: | 230.69 |
Molecular Formula: | C13H11ClN2 |
Canonical SMILES: | CCCC1=NC2=C(C=C(C=C2)C#N)C(=C1)Cl |
InChI: | InChI=1S/C13H11ClN2/c1-2-3-10-7-12(14)11-6-9(8-15)4-5-13(11)16-10/h4-7H,2-3H2,1H3 |
InChI Key: | JGKHGULLFTVYKX-UHFFFAOYSA-N |
Boiling Point: | 355 °C at 760 mmHg |
Density: | 1.23 g/cm3 |
LogP: | 3.71238 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0610761 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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