UCSF

ZINC20216224

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 8 Yes

Popular Name: 3-(Dimethylamino)pyrrolidine 3-(Dimethylamino)pyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13005-11-3 , 132883-44-4 , 132958-72-6 , 144043-20-9 , 152811-55-7 , 50534-42-4 , 69478-75-7 , 864448-61-3 , [132958-72-6] , [152811-55-7] , [50534-42-4] , [864448-61-3]

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) 0.25 0.45 -35.28 2 2 1 20 115.2 1 ↓
Hi High (pH 8-9.5) 0.25 1.39 -32.04 2 2 1 16 115.2 1 ↓
Hi High (pH 8-9.5) 0.25 -1.01 -1.17 1 2 0 15 114.192 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 164 TCI
BP [°C] 166 Acros Organics
Melting_Point 176-181? Alfa-Aesar
Melting_Point 176-181° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H318: Causes serious eye damage; H226: Flammable liquid and vapor Acros Organics
Warnings IRRITANT Matrix Scientific
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 R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20/22: Harmful by inhalation and if swallowed.; R34: Causes 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.