UCSF

ZINC53178479

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 14 Yes

Popular Name: 1-Benzyl-4-piperidone 1-Benzyl-4-piperidone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20821-52-7 , 3612-20-2 , N/A , [20821-52-7] , [3612-20-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.31 5.17 -5.2 0 2 0 20 189.258 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 133 - 135 (p=7 torr) Acros Organics
BP 134°/7mm Oakwood Chemical
BP 158 / 11 TCI
Boiling_Point 248? Alfa-Aesar
Boiling_Point 248° Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H317: May cause an allergic skin reaction Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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