UCSF

ZINC01586316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: Isoamyl propionate Isoamyl propionate

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CAS Number: 105-68-0

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) 2.40 2.75 -4.59 0 2 0 26 144.214 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.76 Bitter DB
BP [°C] 160 Acros Organics
BP 161 TCI
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S24: Avoid contact with skin. Acros Organics

Activity (Go SEA)

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