UCSF

ZINC00056627

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Ethyl 2-(1H-indol-3-yl)acetate Ethyl 2-(1H-indol-3-yl)acetate

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CAS Numbers: 778-82-5 , [778-82-5]

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) 2.51 6.91 -9.47 1 3 0 42 203.241 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 164 - 166 (p=1 torr) Acros Organics
Boiling_Point 164-166?/1mm Alfa-Aesar
Boiling_Point 164-166°/1mm Alfa-Aesar
Melting_Point 41-44? Alfa-Aesar
Melting_Point 41-44° Alfa-Aesar
Mp [°C] 42 - 45 Acros Organics
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. 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. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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