UCSF

ZINC03865924

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 No

Popular Name: methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate methyl 2-amino-5,6,7,8-tetrahydr…

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CAS Numbers: , 184174-81-0 , [184174-81-0]

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) 2.65 -0.87 -7.29 2 3 0 52 225.313 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 94 - 98 Enamine Building Blocks
purity 95 Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
Purity 95+% Fluorochem
Melting_Point 95-96? Alfa-Aesar
Melting_Point 95-96° Alfa-Aesar
MP 95...97 Enamine Building Blocks
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 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% )

No pre-computed analogs available. Try a structural similarity search.