UCSF

ZINC01577197

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 No

Popular Name: Heptanal Heptanal

Find On: PubMed — Wikipedia — Google

CAS Number: 111-71-7

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) 3.09 5.08 -4.71 0 1 0 17 114.188 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 42 Acros Organics
Melting_Point 43? Alfa-Aesar
Melting_Point 43° Alfa-Aesar
BP [°C] 150 Acros Organics
Boiling_Point 152-154? Alfa-Aesar
Boiling_Point 152-154° Alfa-Aesar
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H226: Flammable liquid and vapor Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R38: Irritating to skin. 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.; S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

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