UCSF

ZINC00388326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 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) -0.03 3.31 -47.45 3 1 1 28 140.181 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 30 Acros Organics
Melting_Point 30? Alfa-Aesar
Melting_Point 30° Alfa-Aesar
MP 162 - 164 Enamine Building Blocks
MP 162...164 Enamine Building Blocks
MP 193 - 195 Enamine Building Blocks
MP 193...195 Enamine Building Blocks
Boiling_Point 76?/22mm Alfa-Aesar
Boiling_Point 76°/22mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP [°C] 97 (p=35 torr) Acros Organics
Purity 97% Matrix Scientific
BP 97°/35mm Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Irritant Matrix Scientific
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, CORROSIVE 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 eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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