UCSF

ZINC03830220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 8 No

Popular Name: Isoamyl nitrite Isoamyl nitrite

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110-46-3 , 568577-84-4

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) 1.75 4.03 -3.28 0 3 0 39 117.148 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Boiling_Point 95-100? Alfa-Aesar
Boiling_Point 95-100° Alfa-Aesar
BP [°C] 96 - 99 Acros Organics
UniProt Database Links AAAA_EMENI; AAAA_PENCH; CEFD1_ACRCH; CEFD2_ACRCH ChEBI
Patent Database Links EP1342716; EP1375502; US2005096331; WO2005090319; WO2006020070; WO2006121528 ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed; H225: Highly flammable liquid and vapor Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/22: Harmful by inhalation and if swallowed. 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.; S24: Avoid contact with skin.; S46: If swallowed, seek medical advice immediately and show this container or label. Acros Organics

Activity (Go SEA)

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

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