UCSF

ZINC00137210

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

Popular Name: Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate Ethyl 2-amino-4-(4-methoxyphenyl…

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CAS Numbers: 15854-11-2 , [15854-11-2]

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) 3.12 -0.18 -9.51 2 4 0 61 277.345 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 181 - 183 Enamine Building Blocks
MP 181...183 Enamine Building Blocks
Mp [°C] 74 - 75 Acros Organics
Melting_Point 74-76? Alfa-Aesar
Melting_Point 74-76° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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