UCSF

ZINC01690615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 5 Yes

Popular Name: Pyrrolidine Pyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 123-75-1 , 212625-79-1

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) 0.50 1.77 -33.9 2 1 1 17 72.131 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 63 Acros Organics
Melting_Point 63? Alfa-Aesar
Melting_Point 63° Alfa-Aesar
BP [°C] 86 - 88 Acros Organics
Boiling_Point 86-88? Alfa-Aesar
Boiling_Point 86-88° Alfa-Aesar
BP 88 TCI
Purity 98% Fluorochem
UniProt Database Links ACCA_BACSU; ACCA_ECOLI; ACCA_PSEAE; ACCA_STRPN; ACCD_BACSU; ACCD_ECOLI; ACCD_PSEAE; GADC_ECO57; GADC_ECOLI; GADC_SHIFL; NICA_PSEPU ChEBI
Patent Database Links EP0771565; EP0775683; EP0778022; EP0780381; EP0791849; EP0796845; EP0805153; EP0806419; EP0812845; EP0824917; EP0835869; EP0839810; EP0841063; EP0842934; EP0858996; EP0860438; EP0869118; EP0875513; EP0877014; EP0884051; EP0884310; EP0897721; EP0897723; EP ChEBI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H332: Harmful if inhaled; H225: Highly flammable liquid and vapor Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/22: Harmful by inhalation and if swallowed.; R35: Causes severe burns. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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.; S45: In case of accid Acros Organics

Activity (Go SEA)

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

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