UCSF

ZINC01608917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.23 6.53 -8.55 0 4 0 53 198.218 7

Vendor Notes

Note Type Comments Provided By
Mp [°C] 40 Acros Organics
BP 235 TCI
Boiling_Point 83-85?/1mm Alfa-Aesar
Boiling_Point 83-85°/1mm Alfa-Aesar
BP [°C] 98 - 100 (p=5 torr) Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H317: May cause an allergic skin reaction; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R37: Irritating to respiratory system. Acros Organics
R phrase R37: Irritating to respiratory system.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

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