UCSF

ZINC01698519

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 No

Popular Name: tetradecane tetradecane

Find On: PubMed — Wikipedia — Google

CAS Number: 629-59-4

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) 7.70 11.49 0.1 0 0 0 0 198.394 11 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 252 - 254 Acros Organics
Boiling_Point 252-254? Alfa-Aesar
Boiling_Point 252-254° Alfa-Aesar
ALOGPS_SOLUBILITY 5.53e-05 g/l DrugBank-experimental
Mp [°C] 5.8 Acros Organics
Melting_Point 6? Alfa-Aesar
Melting_Point 6° Alfa-Aesar
Patent Database Links EP1707178; US2003029712; US2007189998; US2007189999; US2008233622; WO2007097593; WO2007106049 ChEBI
H phrase H304: May be fatal if swallowed and enters airways Acros Organics
H phrase H304: May be fatal if swallowed and enters airways; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
P phrase P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician Acros Organics
P phrase P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting; P281: Use personal protective equipment as required Acros Organics
Target Peroxisome proliferator-activated receptor gamma(P37231) Herbal Ingredients Targets
R phrase R65: Harmful: may cause lung damage if swallowed. Acros Organics
R phrase R65: Harmful: may cause lung damage if swallowed.; R66: Repeated exposure may cause skin dryness or cracking. Acros Organics
S phrase S62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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