UCSF

ZINC01696613

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 19 No

Popular Name: 5-Benzyloxyindole-3-carboxaldehyde 5-Benzyloxyindole-3-carboxaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10601-19-1 , 6953-22-6 , [6953-22-6]

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) 3.51 7.58 -10.09 1 3 0 42 251.285 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 237-238° Matrix Scientific
MP 238-239 Fluorochem
Melting_Point 239-242? Alfa-Aesar
Melting_Point 239-242° Alfa-Aesar
Mp [°C] 241 - 242 Acros Organics
Purity 98% Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT, AIR SENSITIVE Matrix Scientific
Warnings Irritant/Air Sensitive/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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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 XI: Irritant Acros Organics

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