UCSF

ZINC01679949

Substance Information

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

CAS Number: 623-93-8

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) 3.55 -0.39 -1.57 1 1 0 20 144.258 6

Vendor Notes

Note Type Comments Provided By
BP 193 TCI
Boiling_Point 194-196? Alfa-Aesar
Boiling_Point 194-196° Alfa-Aesar
Melting_Point 5? Alfa-Aesar
Melting_Point Alfa-Aesar
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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