UCSF

ZINC00152447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

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) 0.67 3.12 -45.85 2 4 1 46 187.263 2

Vendor Notes

Note Type Comments Provided By
MP 42-44° Matrix Scientific
Melting_Point 44-48? Alfa-Aesar
Melting_Point 44-48° Alfa-Aesar
MP 46 TCI
MP 46 - 48 Enamine Building Blocks
MP 46-48° Fluorochem
MP 46...48 Enamine Building Blocks
Mp [°C] 47 - 49 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics

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