UCSF

ZINC00119568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 Yes

Popular Name: 1-Benzyl-4-hydroxypiperidine 1-Benzyl-4-hydroxypiperidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4727-72-4 , [4727-72-4]

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) 0.77 4.9 -36.82 2 2 1 25 192.282 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 121-123?/0.7mm Alfa-Aesar
Boiling_Point 121-123°/0.7mm Alfa-Aesar
BP [°C] 127 - 128 (p=2 torr) Acros Organics
BP 127-128°/2mm Fluorochem
Mp [°C] 60 - 65 Acros Organics
Melting_Point 60-64? Alfa-Aesar
Melting_Point 60-64° Alfa-Aesar
MP 61-63° Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
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 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% )