1-(trans-4-Amylcyclohexyl)-4-cyanobenzene - CAS 61204-01-1
Catalog: |
BB053689 |
Product Name: |
1-(trans-4-Amylcyclohexyl)-4-cyanobenzene |
CAS: |
61204-01-1 |
Synonyms: |
4'-Ethyl-[1,1'-Biphenyl]-4-Carbonitrile; 4-Ethyl-4'-Cyanobiphenyl |
IUPAC Name: | 4-(4-pentylcyclohexyl)benzonitrile |
Molecular Weight: | 255.40 |
Molecular Formula: | C18H25N |
Canonical SMILES: | CCCCC[C@@H]1CC[C@H](CC1)c2ccc(cc2)C#N |
InChI: | InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3/t15-,17- |
InChI Key: | FURZYCFZFBYJBT-JCNLHEQBSA-N |
Boiling Point: | 381.0±21.0 °C at 760 mmHg |
Melting Point: | 30-55°C(lit.) |
Flash Point: | 113 °C(235.4 °F) |
Purity: | >98% by GC |
Density: | 1.0±0.1 g/cm3 |
Solubility: | soluble in Methanol |
Appearance: | White Powder |
MDL: | MFCD00075548 |
Precautionary Statement: | P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse. |
Signal Word: | Warning |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.198699802 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.198699802 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.6 |
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Related Functional Groups
Cyclohexane
Nitrogen Compounds
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