UCSF

ZINC00058130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 1-acetylpiperidine-4-carboxylic acid 1-acetylpiperidine-4-carboxylic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25503-90-6 , 333985-70-9 , [25503-90-6]

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) -0.28 3.32 -50.32 0 4 -1 60 170.188 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 163-178° Matrix Scientific
melting_point 176 - 178 KeyOrganics
MP 179 - 181 Enamine Building Blocks
MP 179...181 Enamine Building Blocks
Mp [°C] 180 - 182 Acros Organics
MP 180-183o C Indofine
MP 180-183° Matrix Scientific
Melting_Point 180-184? Alfa-Aesar
Melting_Point 180-184° Alfa-Aesar
MP 180° Fluorochem
MP 184 TCI
MP 197 °C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
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
SOLUBILITY Soluble in Chloroform Indofine
Hazard XI: Irritant Acros Organics

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