UCSF

ZINC04262110

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: 1-Benzyl-3-pyrrolidinone 1-Benzyl-3-pyrrolidinone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1/7/1012 , 1012-01-7 , 775-16-6 , N/A , [1012-01-7] , [775-16-6]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.04 6.77 -43.72 1 2 1 22 176.239 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 109 (p=0.1 torr) Acros Organics
BP 109 / 0.1 TCI
Boiling_Point 77-78?/0.01mm Alfa-Aesar
Boiling_Point 77-78°/0.01mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0381959A1 IBM Patent Data
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, KEEP COLD Matrix Scientific
Warnings Irritant/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; 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
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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