UCSF

ZINC02384133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 8 Yes

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) 2.05 0.88 -3.55 0 1 0 12 131.537 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 19? Alfa-Aesar
Melting_Point 19° Alfa-Aesar
Mp [°C] 23 - 24 Acros Organics
BP [°C] 74 (p=37 torr) Acros Organics
BP 74 / 38 TCI
Boiling_Point 74?/38mm Alfa-Aesar
Boiling_Point 74°/38mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H226: Flammable liquid and vapor; H302: Harmful if swallowed; H315: Causes skin irritation; H318: Causes serious eye damage; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash wi Acros Organics

Activity (Go SEA)

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