UCSF

ZINC01596349

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Popular Name: N-(4-Bromobutyl)phthalimide N-(4-Bromobutyl)phthalimide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1375064-50-8 , 5394-18-3 , 954-81-4 , [5394-18-3]

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) 2.80 0.27 -8.39 0 3 0 39 282.137 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 165-170?/1mm Alfa-Aesar
Boiling_Point 165-170°/1mm Alfa-Aesar
Melting_Point 58-62? Alfa-Aesar
Melting_Point 58-62° Alfa-Aesar
Mp [°C] 76 - 80 Acros Organics
Melting_Point 77-81? Alfa-Aesar
Melting_Point 77-81° Alfa-Aesar
MP 78 - 80 Enamine Building Blocks
MP 78...80 Enamine Building Blocks
MP 79 TCI
MP 80 - 82 Enamine Building Blocks
MP 80-82° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics
Purity ¡Ý98% APIChem

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