UCSF

ZINC95616274

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2014 0 Yes

Popular Name: 1-Benzyl-3-aminopyrrolidine 1-Benzyl-3-aminopyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 113794-48-2 , 114715-38-7 , 114715-39-8 , 131852-54-5 , 18471-40-4 , 215947-36-7 , 954214-45-0 , [114715-39-8] , [18471-40-4] , [N/A]

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

Vendor Notes

Note Type Comments Provided By
Boiling_Point 101-103?/3mm Alfa-Aesar
Boiling_Point 101-103°/3mm Alfa-Aesar
BP [°C] 108 - 115 (p=5 torr) Acros Organics
MP 178 - 180 Enamine Building Blocks
MP 178...180 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CEN Acros Organics
R phrase 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.; 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 accident or if Acros Organics

Activity (Go SEA)

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

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