UCSF

ZINC00080323

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: ethyl 2-amino-4-methylthiophene-3-carboxylate ethyl 2-amino-4-methylthiophene-…

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CAS Numbers: 18614-46-5 , 357332-70-8 , 43088-42-2 , [43088-42-2]

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) 1.72 3.7 -7.33 2 3 0 52 185.248 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 79-83? Alfa-Aesar
Melting_Point 79-83° Alfa-Aesar
Mp [°C] 80 - 86 Acros Organics
MP 82-84° Oakwood Chemical
Purity 98% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase 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 water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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