UCSF

ZINC01699560

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 Yes

Popular Name: 3-ETHYLTOLUENE 3-ETHYLTOLUENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 620-14-4 , [620-14-4]

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) 3.28 2 -1.83 0 0 0 0 120.195 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 96? Alfa-Aesar
Melting_Point 96° Alfa-Aesar
Boiling_Point 158-159? Alfa-Aesar
Boiling_Point 158-159° Alfa-Aesar
BP 160 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P403 + P233: Store in a well-ventilated place. Keep container tightly closed Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.