UCSF

ZINC01721205

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 7 Yes

Popular Name: Piperidin-4-one hydrochloride Piperidin-4-one hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19099-93-5 , 320589-77-3 , 40064-34-4 , 41661-47-6 , 41979-39-9 , [320589-77-3] , [40064-34-4] , [41979-39-9]

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) -0.68 1.53 -47.45 2 2 1 34 100.141 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 110 - 116 Enamine Building Blocks
MP 110...116 Enamine Building Blocks
MP 145-147° Matrix Scientific
Mp [°C] 89 - 99 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 94-100? Alfa-Aesar
MP 94-100° Matrix Scientific
MP 94-96° Fluorochem
purity 95 Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
Purity 95+% Matrix Scientific
MP 95...97 Enamine Building Blocks
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT 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 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 XI: Irritant Acros Organics

Activity (Go SEA)

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

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