UCSF

ZINC01699948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 6 Yes

Popular Name: Morpholine Morpholine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10024-89-2 , 110-91-8 , 4856-95-5 , [4856-95-5]

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) -0.41 0.04 -37.69 2 2 1 26 88.13 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 5 Acros Organics
Melting_Point 5? Alfa-Aesar
Melting_Point 5° Alfa-Aesar
MP 7 - -5 Enamine Building Blocks
MP 7--5° Oakwood Chemical
MP 7...-5 Enamine Building Blocks
BP [°C] 126 - 130 Acros Organics
BP 126-130° Oakwood Chemical
BP 129 TCI
Boiling_Point 129? Alfa-Aesar
Boiling_Point 129° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 93-95? Alfa-Aesar
Melting_Point 93-95° Alfa-Aesar
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% Fluorochem
Hazard C: Corrosive Acros Organics
Patent Database Links EP0778022; EP0780381; EP0791591; EP0791595; EP0791849; EP0803504; EP0805153; EP0812845; EP0816351; EP0824917; EP0831096; EP0835869; EP0839810; EP0842934; EP0842935; EP0842936; EP0858996; EP0860438; EP0867435; EP0875513; EP0884310; EP0889044; EP0899268; EP ChEBI
UniProt Database Links ERG24_YEAST; ERG2_YEAST ChEBI
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed; H311: Toxic in contact with skin; H314: Causes severe skin burns and eye damage; H226: Flammable liquid and vapor Acros Organics
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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P302 + P350: IF ON SKIN: Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S36: Wear suitable protective clothing.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
PUBCHEM_PATENT_ID WO2000012485A1; WO2000012486A1 IBM Patent Data

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

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