UCSF

ZINC01693211

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: Undecane Undecane

Find On: PubMed — Wikipedia — Google

CAS Number: 1120-21-4

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) 6.18 9.15 0.09 0 0 0 0 156.313 8 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 26 Acros Organics
Melting_Point 26? Alfa-Aesar
Melting_Point 26° Alfa-Aesar
BP [°C] 196 Acros Organics
Boiling_Point 196? Alfa-Aesar
Boiling_Point 196° Alfa-Aesar
Patent Database Links EP1520579; EP1707178; GB2063068; US2005154057; US2008279810; WO2005014569; WO2005037784; WO2005040167; WO2005047230 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; H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
P phrase P310: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Acros Organics
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% )