UCSF

ZINC01436268

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 15 No

Popular Name: 1-Boc-4-piperidinecarboxaldehyde 1-Boc-4-piperidinecarboxaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1273680-69-5 , 137076-22-3 , 59489-71-3 , [137076-22-3]

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) 1.97 5.18 -8.46 0 4 0 47 213.277 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 120 (p=2 torr) Acros Organics
Mp [°C] 34 - 40 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity >95% Matrix Scientific
Purity >98% Fluorochem
H phrase H302: Harmful if swallowed 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 P280: Wear face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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