UCSF

ZINC01698517

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 No

Popular Name: nonane nonane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 111-84-2 , [111-84-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.17 7.59 0.11 0 0 0 0 128.259 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 53 Acros Organics
Melting_Point 53? Alfa-Aesar
Melting_Point 53° Alfa-Aesar
Boiling_Point 150-152? Alfa-Aesar
Boiling_Point 150-152° Alfa-Aesar
BP [°C] 151 Acros Organics
Patent Database Links EP0926136; EP1180516; EP1422213; EP1666476; EP1779863; US2005154057; US2007219127; WO2005014569; WO2005028475; WO2005030711; WO2005030777; WO2005035491; WO2005037052; WO2005037784; WO2005040145; WO2005040167; WO2005063706; WO2005070414; WO2005070860; WO20 ChEBI
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H336: May cause drowsiness or dizziness; H304: May be fatal if swallowed and enters airways; H315: Causes skin irritation; H413: May cause long lasting harmful effects to aquatic life; H226: Flammable liquid and vapor Acros Organics
UniProt Database Links OPH_PSESP; OPH_SPHS1 ChEBI
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P210: Keep away from heat/spar Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20: Harmful by inhalation.; R38: Irritating to skin.; R53: May cause long-term adverse effects in the aquatic environment.; R65: Harmful: may cause lung damage if swallowed.; R67: Vapours may cause drowsiness and dizziness. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S37: Wear suitable gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Target Superoxide dismutase [Cu-Zn](P00441)&Cytochrome P450 3A4(P08684)&Acetylcholinesterase(P22303) Herbal Ingredients Targets
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )