UCSF

ZINC00167343

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 Yes

Popular Name: 1-pyrimidin-2-yl-piperidine-4-carboxylic acid 1-pyrimidin-2-yl-piperidine-4-ca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1051941-66-2 , 303144-44-7 , [303144-44-7]

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) 0.77 7.63 -48.93 0 5 -1 69 206.225 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 103-105° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
MP 94 - 96 Enamine Building Blocks
MP 94...96 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H332: Harmful if inhaled; H315: Causes skin irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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