UCSF

ZINC53151193

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 9 Yes

Popular Name: Methyl pyrrolidine-2-carboxylate hydrochloride Methyl pyrrolidine-2-carboxylate…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2133-40-6 , 43041-12-9 , 52183-82-1 , 63365-28-8 , 65365-28-8 , 79397-50-5 , N/A , [43041-12-9] , [52183-82-1] , [79397-50-5]

Download: MOL2 SDF SMILES Flexibase

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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) 0.35 1.16 -4.27 1 3 0 38 129.159 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 42 - 49 Acros Organics
MP 69 - 71 Enamine Building Blocks
Melting_Point 69-71? Alfa-Aesar
Melting_Point 69-71° Alfa-Aesar
MP 69-71°C Indofine
MP 69...71 Enamine Building Blocks
Melting_Point 71-78? Alfa-Aesar
Melting_Point 71-78° Alfa-Aesar
MP 73 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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